Hysys Rto Refguide

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2002 Hyprotech Ltd. All rights reserved.

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Documentation Credits
Authors of the current release, listed in order of historical start on project (2002-1998):
Colleen Kachmarski, BAC; Nana Nguyen, BSc; Conrad Gierer, BASc; Lisa Hugo, BSc, BA; Ian McKay, BSc.
Since software is always a work in progress, any version, while representing a milestone, is nevertheless but
a point in a continuum. Those individuals whose contributions created the foundation upon which this
work is built have not been forgotten. The current authors would like to thank the previous contributors. A
special thanks is also extended by the authors to everyone who contributed through countless hours of
proof-reading and testing.
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section of the Get Started manual.
Table of Contents
1
Introducing HYSYS.RTO.............................................. 1-1

1.1
Using HYSYS.RTO ....................................................... 2-1

2.1
Role of the Sub-Flowsheet ...................................................2-3
2.2
Optimization Objects.............................................................2-5
2.3
Collection Utilities .................................................................2-6
2.4
Optimizer Interface ...............................................................2-6
2.5
Data Reconciliation/Parameter Estimation Problem .............2-7
2.6
Optimization Problem ...........................................................2-8
2.7
Creating a Collection Utility...................................................2-9
Optimizer ..................................................................... 3-1

3.1
Welcome to HYSYS.RTO .....................................................1-3
Optimizer Interface ...............................................................3-3
Derivative Utility ......................................................... 4-1

4.1
HYSYS.RTO Variables - Properties......................................4-3
4.2
HYSYS.RTO Constraints - Properties ..................................4-9
ESTIM DRU Overview .................................................. 5-1

5.1
The Problem .........................................................................5-3
5.2
The Solution..........................................................................5-3
5.3
The Benefits..........................................................................5-4
5.4
ESTIM DRU Facilities ...........................................................5-5
5.5
Using ESTIM DRU ................................................................5-6
5.6
Configuring a Fitting Problem .............................................5-10
5.7
Estim Data Set Analysis .....................................................5-19
5.8
Optimization Objects...........................................................5-20
5.9
General Notes.....................................................................5-25
5.10 ESTIM DRU Diagnostic File Output....................................5-26
Data Reconciliation Utility.......................................... 6-1

6.1
Heat Exchanger Network Data Reconciliation ......................6-3
Derivative Utility & Optimizer..................................... 7-1

7.1
The Derivative Utility .............................................................7-3
7.2
Optimizer ............................................................................7-12
HYSYS.RTO+ Example ................................................A-1

A.1
Data Reconciliation Example ............................................... A-3
A.2
Install Data Reconciliation Utility.......................................... A-5
Index.............................................................................I-1
ii
Introducing HYSYS.RTO
1-1
1 Introducing HYSYS.RTO
1.1 Welcome to HYSYS.RTO .................................................................3
1-1
1-2
1-2
Introducing HYSYS.RTO
1-3
1.1 Welcome to HYSYS.RTO

HYSYS.RTO is a real-time on-line optimization software package that
combines the following two proven technologies:
Rigorous first principal models and thermodynamic methods (from
HYSYS).
Optimization and data reconciliation routines (from RTO).
Optimization within HYSYS is based on a simultaneous modular
approach. A flowsheet model is developed as a collection of Subflowsheets (SFS or the modular blocks) are connected through streams.
Within each SFS are a collection of unit operations and streams that are
appropriate to be solved together. During the course of the optimization
run, each Sub-flowsheet is solved using one of the standard HYSYS
solvers (non-sequential modular or one of the available column
solvers).
When the model is being posed to the optimizer, each product stream
from one SFS that serves as a feed stream to another SFS is "torn". The
act of tearing the stream creates a collection of connection equations
which the optimizer solves as part of its calculations. In the case of
nested Sub-flowsheets, the tearing occurs at the terminal locations (i.e.,
between the stream which is calculated as the product of one unit
operation, and the stream which feeds the next unit operation). There
are no intermediate tears constructed.
Recycle locations in the flowsheet should be defined at the transition
across a Sub-flowsheet boundary. This additional transfer basis allows
the flowsheet to be initialized correctly, and then have the recycle
replaced by connection equations when the model is posed to the
optimizer.
Within each of the Sub-flowsheets are a number of decision variables,
true process constraints and objective function variables. These are
individually selected and configured by the user and are automatically
associated with the corresponding block when the problem is posed to
the optimizer.
1-3
1-4
Welcome to HYSYS.RTO
Upon configuration of the flowsheet, Derivative Utilities can be attached

to the various Sub-flowsheet operations. These utilities allow the tearing
of the appropriate streams to be invoked, and the various optimization
objects (decision variables, constraints, objective function variables)
collected into lists which are then provided to the optimizer.
When the optimizer is invoked, it accesses these lists from each of the
utilities to construct its solution matrix. During the course of its
solution, the optimizer configures the necessary information from each
of the objects to determine aspects such as step size, derivative
evaluations etc.
In the simultaneous modular approach, the blocks are treated as a
matrix of variables (decision and tear) and constraints (true process
constraints and connection equations). The derivatives that the
optimizer then sees from any block are of the entire constraints vector
with respect to each individual variable within the block. If the block
contains variables which are part of the objective function, the gradient
is also determined for each of the variables.
During the optimization, values are returned to the flowsheet through
the utilities to be evaluated by the models, with the calculated results
(tear equation residuals, process constraint values, objective function,
etc.) returned to the optimizer. The interaction between the optimizer
and the flowsheet continues until the defined solution criteria is met.
1-4
Using HYSYS.RTO
2-1
2 Using HYSYS.RTO
2.1 Role of the Sub-Flowsheet ..............................................................3
2.1.1 Simultaneous Modular Optimization.........................................4
2.1.2 Implementation in HYSYS.RTO ...............................................4
2.1.3 Overview ..................................................................................4
2.2 Optimization Objects .......................................................................5
2.3 Collection Utilities............................................................................6
2.4 Optimizer Interface ..........................................................................6
2.5 Data Reconciliation/Parameter Estimation Problem ....................7
2.5.1 General Procedure ...................................................................7
2.6 Optimization Problem ......................................................................8
2.6.1 General Procedure ...................................................................8
2.6.2 Flowsheet Tearing ....................................................................8
2.7 Creating a Collection Utility ............................................................9
2.7.1 Derivative Utility......................................................................11
2.7.2 Optimization Objects ..............................................................14
2.7.3 Optimization Object Installation..............................................15
2-1
2-2
2-2
Using HYSYS.RTO
2-3
2.1 Role of the Sub-Flowsheet

In the standard HYSYS modeling environment, the sub-flowsheet lets
you provide a logical grouping of operations to facilitate understanding
of the process behaviour. In addition, it provides the mechanism to
encapsulate a solver (i.e., the Column sub-flowsheet) or to use different
fluid packages (thermodynamics, component slates, etc.) within a
simulation.
For optimization, the sub-flowsheet provides the same benefits plus a
number of additional capabilities for the simultaneous modular
approach. Foremost, it provides a location where the standard
propagation of information can be broken. Once a model is torn for
optimization, information does not propagate from one sub-flowsheet
to another. This limits calculations to only those needed at a point in
time.
Similarly, by selecting the structure of the Sub-flowsheets appropriately,
unnecessary equations are never posed to the optimizer. In addition, if
derivatives are being generated numerically, the potential for noise in
the generated derivatives is minimized by constructing suitably sized
Sub-flowsheets.
For operations that deliver analytical derivatives, these must be
encapsulated within a single sub-flowsheet. For example, HYSYS
columns being solved by the Newton solver are able to deliver the
Jacobian matrix to the optimizer directly. Extension unit operations that
deliver analytical derivatives are handled in the same manner.
2-3
2-4
Role of the Sub-Flowsheet
2.1.1 Simultaneous Modular Optimization

Simultaneous Modular Optimization (SMO) is a hybrid between
Sequential Modular and Open Equation forms of optimization. It uses
modular solvers to solve the unit operations themselves, and the
Optimizer solver to solve both the Optimization and connection
equation problems.
2.1.2 Implementation in HYSYS.RTO

In HYSYS.RTO, the SMO is facilitated by the development of
Optimization Objects (which provide a generic interface to flowsheet
variables), configuration utilities (Data Reconciliation and Derivative)
and flowsheet tearing. The act of tearing the flowsheet blocks the
propagation of information across the torn location, creating a set of
connections equations which are exposed to the Optimizer for solution
as part of the optimization problem.
2.1.3 Overview
For the HYSYS user, the key pieces to configuring an optimization or
data reconciliation problem are:
Optimization Objects A generic set of objects used to identify the
underlying flowsheet variable and provide the necessary
configuration information for use by Optim or Estim.
Collection Utilities Utilities used to identify the "pieces" of the
flowsheet which are to be exposed to Optim or Estim.
Optim and Estim parameters Tolerances and flags.
The mechanics for creating either a Data Reconciliation or Optimization
problem are essentially identical. The only differences are as follows:
2-4
Optimization object types being used

Optim or Estim properties
Tolerances and flags being configured
Specific procedures to the type of problem being solved
Using HYSYS.RTO
2-5
2.2 Optimization Objects

Optimization objects are the mechanism of identifying the flowsheet
variables which are to be considered as part of the problem. The
optimization and data reconciliation routines have the ability to set and
retrieve flowsheet values as well as the necessary configuration
parameters through the optimization object. While there are a number
of different optimization object types, they all serve the same basic
function.
The primary differences between the optimization objects are the
properties they contain, and how Optim or Estim treats them. For
flowsheet optimization, there are:
Optimization Variable Decision variables for the optimization that
must be specified (blue) variables.
Constraints True process constraints, bounded variables that are
instantiated by the user. These must be calculated (black) variables.
Objective Function Variables A variable that is part of the overall
objective function. Each variable has its own defining equation, the
results of which are combined into a single flowsheet objective
function. These must be calculated (black) variables.
For Data Reconciliation and Parameter Estimation, there are:
DCS Tags Variables for which you have a set of measurements,
which are used to calculate offsets in the measurements and update
fitting parameters. These can be either specified or calculated
variables.
Fitting Parameters Variables whose value is to be directly
adjusted to match the supplied data. These must be specified (blue)
variables.
There is a third type of Optimization Object used for Data Reconciliation
called a DRU Stream (Data Reconciliation Utility Stream). This is
essentially a data holder, i.e., it allows for multiple sets of stream data,
each corresponding to a different data set, to be supplied by you. These
values are taken as supplied, no offsetting is calculated for these
streams.
2-5
2-6
Collection Utilities
2.3 Collection Utilities

Derivative and Data Reconciliation Utility
There are two utilities used by HYSYS.RTO to provide the primary
interface between the flowsheet model and the solver:
Data Reconciliation Utility
Derivative Utility.
Their primary purpose is to collect appropriate optimization objects
which are then exposed to the solvers.
These utilities are first "attached" with unit operation(s) within the
flowsheet model. Then, based on the types of optimization objects that
utility type is interested in, it collects those objects of the correct types
which are attached to variables that are related to the targeted unit
operations and their corresponding streams.
It is the corresponding lists of "variables" and "constraints" that are
exposed to Optim.
2.4 Optimizer Interface

The Optimizer interface in HYSYS provides the collection points for the
utilities within the flowsheet. Depending on the mode, the Optimizer
invokes either Estim (Data Reconciliation and Parameter Fitting) or
Optim (Optimization) and provides the necessary interfaces back into
the process model.
2-6
Using HYSYS.RTO
2-7
2.5 Data Reconciliation/Parameter

Estimation Problem
2.5.1 General Procedure
1.
Build the flowsheet.
2.
Install a Data Reconciliation utility.
3.
Select the unit operations from the flowsheet that are associated
with the variables to be fit, or for which you have measured the data.
The streams that are attached to the unit operations are
automatically obtained at the same time.
4.
Install Fitting Parameters from the Utility and attach them to the
appropriate flowsheet variables to be fit.
5.
Supply appropriate values for the Fitting Parameters.
6.
Install DCS Tags and attach them to flowsheet variables for which
you have measured data.
7.
Supply required values for the Tags.
8.
Supply the measured data.
9.
If necessary, turn on the multiple data set option for attached

streams, and supply corresponding data.
10. Set the appropriate Estim properties and tolerances and flags.
11. Invoke the HYSYS Optimizer F5 and turn on Data Reconciliation
mode.
12. Identify the utility containing the unit operations and streams being
reconciled.
13. Start the data reconciliation.
2-7
2-8
Optimization Problem
2.6 Optimization Problem

2.6.1 General Procedure
1.
Build the flowsheet.
2.
Install a Derivative utility.
3.
Select Flowsheet Wide for the Unit Operation.
4.
Install Optimization Variables from the utility and attach them to the
appropriate flowsheet variables.
5.
Supply appropriate values for the Optimization Variables.
6.
Install Constraints and attach them to appropriate flowsheet

variables.
7.
Supply required values for the Constraints.
8.
Install the objective function object(s) and attach them to

appropriate flowsheet variables.
9.
Configure the appropriate prices for the objective function objects.
10. Invoke the Optimizer F5 and select Optimization.

11. Change appropriate Optim properties and tolerances and flags.
12. Start the Optimization.
2.6.2 Flowsheet Tearing

There is an additional feature available for optimization which involves
Flowsheet Tearing. With this approach, specific streams in the flowsheet
are "torn" and appropriate connection equations written. These
additional variables and constraints are passed to the Optimizer to be
solved as part of the optimization problem. Typically, this approach
requires multiple derivative utilities to be constructed.
2-8
Using HYSYS.RTO
2-9
2.7 Creating a Collection Utility

Utilities are created from the FlowSheet Tools Menu Bar, or by using the
CTRL U hot key combination. This produces a view containing the
available and installed utilities in the flowsheet. Select Derivative Utility
(as shown in Figure 2.1) or Data Recon Utility, and click the Add Utility
button. This displays the corresponding Utility property view.
Figure 2.1
Utility Property View

Both the Data Reconciliation and Derivative Utility property views
contain a number of tabs, that are organized around the optimization
object types (variables, constraints, fitting parameters, DCS Tags, etc.).
Both utilities contain a similar section at the top of the view that
provides access, on every tab, to the features for unit operation
attachment and optimization object creation for the problem. While
optimization objects can be created from the flowsheet prior to
installing a utility, it is recommended that this be done from this
location. Once unit operations are selected, optimization objects that
are created, are tested as to whether they are associated with the
attached operations and streams.
2-9
2-10
Creating a Collection Utility
Immediate feedback is provided when the objects are created and added
directly to the lists contained within the utility, and are displayed
directly on the property view. Information can either be supplied as
objects are added, or at any time prior to running the solver.
Figure 2.2
The tabs of the Derivative Utility are defined as follows:
2-10
Tab
Description
Structural NonZeroes
Assign variable/constraint associations such that a Jacobian

element is always assigned to the pair regardless of the
Jacobian Tolerance.
Independent
Variables
Access the collection of variables (optimization Variables,

Connection Equation Variables, and Solution Variables)
associated with the utility
Constraints/
Objective Function
Access the collection of dependent variables (Constraints,

Technical Constraints, Solution Constraints and Objective
Function variables) associated with the utility.
Derivative Analysis
Access the numerical perturbation mechanism to allow

examination of the sparsity pattern and Jacobian values,
gradient and model noise which will be generated by the
gradient calculations of the solution.
Using HYSYS.RTO
2-11
2.7.1 Derivative Utility

Figure 2.3
Configuration Group
At the top of the Derivative Utility property view is the Derivative Utility
Configuration group, which is displayed on every tab. This provides
access to the following options:
Field
Description
Unit Operation Selection
Select the unit operation(s) for the given utility.
Add
Add variables, constraints and objective function objects.
Master/Run Time Toggle
Switch between Master and Run Time lists for display

purposes. The Master List is all variables or constraints
that are attached to utility. During the set up phase of an
optimization problem, each variable and constraint is
evaluated for its current parameter settings. Those which
do not qualify for the current problem (i.e., the Optimize
Flag is false) are not included in the list of variables and
constraints exposed to the Optimizer, which is the Run
Time list. This button lets you switch between lists (even
when the problem is running).
2-11
2-12
Unit Operation Selection

There are three modes for the derivative utility and they are as follows:
Mode
Selection
Flowsheet
Wide
Use when minimal flowsheet tearing is being employed, and no

special derivative and solution mechanisms (such as extension
operations) are being used. In this mode, a single derivative utility is
used for the entire flowsheet.
Specific Unit
Operation
Typically this is a sub-flowsheet, which is torn on both the feeds and

products. The sub-flowsheet typically contains several unit
operations which are solved either using the HYSYS standard
solver, or one of the column solvers.
Extension
Operation
Used when the sub-flowsheet contains an extension operation

which is solved using the available OLE functions to allow the solver
to solve the model equations as part of the optimization problem
It is best to select the desired unit operation prior to installing any of the
remaining optimization objects. Part of the procedure for attaching the
unit operation to the utility is to obtain all existing optimization objects
(of the appropriate type) from the simulation case.
For example, if the Specific Unit Oper radio button is selected, the view
displays as shown in the figure below.
Figure 2.4
Select the target unit operations from the Object column of the view.
Note that Sub-flowsheets (i.e., Columns), are to be selected as an Object,
not as a Flowsheet. When a Unit Operation is selected, the utility
displays all optimization objects currently installed in the simulation
case which are associated (attached to) the unit operation(s) and their
associated streams.
2-12
Using HYSYS.RTO
2-13
Object and Property Filters

In Optim, there are only variables and constraints. However, to assist
with the interpretation of the optimization problem, these lists are
divided according to the source of the attached variable. On the
corresponding tabs of the utility, there are radio buttons which filter the
objects into these types.
Figure 2.5
For the Variables tab, the Independent Properties can be selected by

using the following radio buttons:
Variable
Description
Optimization Variable
True decision variables
Tear Variables
Variables created by the tearing of a flowsheet stream
Solution Variables
Variables created to support an extension operation which

is to be solved as part of the optimization problem
2-13
2-14
Further filtering is provided to indicate which of the given object

properties are as follows:
Radio Button
Description
Input
Required user input.
Output
Values output from Optim.
Results
Values resulting from the optimization problem.
All
Access to all properties. There are a number of internal properties

(i.e., Sparse Column), contained inside of the optimization object,
but are used as internal values for the solution.
All of the appropriate optimization object types are displayed on the tab
in a worksheet format. In addition to the properties, the view displays
the flowsheet object and variable that each optimization object is
associated with. Values that can be specified are indicated in blue, while
calculated variables are displayed in black.
Unit conversion is provided for each of the appropriate object property
combinations.
2.7.2 Optimization Objects

The Optimization object types which are used for optimization
problems are as follows:
2-14
Type
Description
Optimization
Variable
Decision variables for the optimization that must be specified

(blue) variables.
Constraints
True process constraints, bounded variables and are

instantiated by the user. These must be calculated (black)
variables.
Objective Function
Variables
A variable which is part of the overall objective function. Each

variable has its own defining equation, the results of which are
combined into a single flowsheet objective function. These
must be calculated (black) variables.
Using HYSYS.RTO
2-15
2.7.3 Optimization Object Installation

Optimization objects appropriate for the utility (in the case of the
Derivative utility - Optimization Variables, Constraints and Objective
Function variables) can be added directly from the view. Use the dropdown list in the upper right corner of the Derivative Utility
Configuration group, to select one of the three options. By selecting the
appropriate option and clicking the Add button, the corresponding
selection view is displayed:
Figure 2.6
By making the selection as shown (Flowsheet, Object, Variable and

Variable Specifics), the Optimization Variable is created and added to
the utilities collection.
2-15
2-16
By default, the new object is given the next available name. However,
you can edit the name of the object directly from the utility view by
highlighting the name in the Object Name column and typing a new
string, as shown below
Figure 2.7
Constraints and Objective Function Objects are added in a similar

manner. When an object of a given type is added, the utility
automatically switches to the appropriate tab and filter type.
Specified Versus Calculated Values

When you install a variable or constraint, you must examine the status
of the Current Value property. Variables must display a status of Blue
(specifiable), while Constraints must display a status of Black
(calculated).
2-16
Using HYSYS.RTO
2-17
Units and Delta Properties

All communication with Optim for property values is conducted in
HYSYS internal units. However, you can input your values in any
necessary unit set, the conversion is handled internally. There are
certain properties (typically span or range type properties) which are
handled differently based on the variable type they are attached to (i.e.,
pressure and temperature). When you input a value for these types of
property/variable combinations, the input is converted automatically to
Delta; i.e., a Range for a temperature variable of 1 C displays as 1.8 F if
the unit set is changed.
The only location where the chosen Units set influences the problem is
with respect to the Objective Function object. The default formula for an
Objective Function object is variable value X price. The calculations
performed for determining the individual contribution of that object to
the overall objective function are done in display units. For example, if
the objective function object is attached to a LiquidVolumeFlow
variable, and the current display units are in Barrels/Day, then the actual
display value (1000 bbl/day) is used in determining the contribution to
the objective function. You can create a new unit set (Tools/Preferences)
for this purpose.
If you store a case and then reload it from disk, you should ensure
that the correct units set is being used prior to running the
optimization problem.
2-17
2-18
Derivative Analysis
The Derivative Analysis tab of the utility property view provides access
to the Jacobian and Gradient calculation mechanism used during the
solution. Examine different perturbation sizes and single and two sided
gradient calculations to see their impact on the calculated Jacobian and
gradient for the variables.
Filtering is provided to allow examination of subsets of the overall
variable and constraint lists. In addition, examine the model noise to
determine if tighter solution tolerances on the individual unit
operations (i.e., Columns) are necessary. Typically, a tighter solution
tolerance requires more individual calculations at any phase, but
improves the quality of the Jacobian being returned to Optim and
reduces the time of the overall problem solution.
Figure 2.8
When the calculations are complete, examine both the individual

Jacobian elements, or the Gradient, as well as the noise of the model.
While the default solution tolerances for unit operations is valid for
modelling purposes, experience shows that a tighter tolerance is more
appropriate for Jacobian evaluations (where small changes are being
2-18
Using HYSYS.RTO
2-19
applied to determine the direction).

This is the original absolute model noise (comparison of the original
value of the constraint, to the calculated value when the variable is
returned to its starting value), while the screen below shows the values
when a tighter tolerance is used in the calculations.
Figure 2.9
In addition to examining the affects of the perturbation size, gradient

types, etc., on the calculated Jacobian and Gradient, you can also use the
Derivative Analysis tab to determine the size of the Ranges best suited
for the optimization problem. The size of the perturbation which
applied to the variable is determined by the Range x the perturbation.
The Range is different from the span (which is used by the Optimizer in
the Jacobian normalization, and is calculated as the Maximum - the
Minimum).
Figure 2.10
If you have not supplied a value for the Range, the Span is used in
determining the size of the perturbation. The reason for providing the
span is that it allows for better control over the perturbation which is
being applied to the given variable, i.e., large enough to generate a
2-19
2-20
sensical response, without impacting the conditioning of the

optimization problem (i.e., a desired very small range to work with on
the variable itself ).
2-20
Optimizer
3-1
3 Optimizer
3.1 Optimizer Interface ..........................................................................3
3.1.1 Calculations............................................................................23
3.1.2 Results ...................................................................................23
3-1
3-2
3-2
Optimizer
3-3
3.1 Optimizer Interface

While the derivative utilities are used for collecting and configuring the
individual optimization objects for the problem, the Optimizer collects
all of the utilities and exposes the combined list of variables and
constraints to Optim. In addition, this is where you set the tolerances,
flags and settings for the Optimization problem in its entirety. The
Optimizer is accessed by pressing the F5 key.
Figure 3.1
The radio button selection provided along the bottom of the view
provides access to the available options:
Default the existing HYSYS Optimizer

Optimization access to Optimization (Optim)
Data Recon access to Data Reconciliation (Estim)
Model used specifically for Real Time applications
3-3
3-4
Optimizer Interface
Depending on the radio button selected, additional tabs are displayed

on the view. A number of tabs (Testing, Properties, Transfer and Object
Transfer) relate solely to the Real Time interfaces and should not be
used. All of the necessary configuration for the Optimization Problem
can be accessed through the Optim Configuration tab.
There are three pieces of the Configuration:
SetUp Identifying the optimization algorithm to be used, type of
perturbations, level of diagnostics, etc.
Tolerances Access to the various solution tolerances and Optim
parameters.
Flags Access to the various Optim configuration options which are
Booleans.
Optim Configuration Set Up Inputs (Set Up Radio Button)

These inputs consist of the following Optimizer properties:
Algorithm
The algorithm used by the Optimizer, is one of the following:
SS_LP single-shot linear programming algorithm.
MDC_SLP sequential linear programming algorithm.
MDC_SQP two-phase sequential quadratic programming
algorithm with large-scale sparse matrix handling features.
NAG_SQP single-phase sequential quadratic programming
algorithm.
Suggested Default: MDC_SQP
3-4
Optimizer
3-5
LP Options
Used to select the options to be used with the SS_LP algorithm. Select
one of the following:
None No option.
Initialize A single run of the linear programming algorithm is
conducted, and the Objective Value property of the Optimizer is
reset to 0.0.
Intercepts The Optimizer Fix Variable Spans flag is switched on
prior to carrying out the SS_LP optimization.
Gradients The Optimizer constraint and objective function
gradients are re-evaluated prior to carrying out the SS_LP
optimization. Otherwise, the gradients used during the SS_LP
optimization are those found at the previous point.
The SS_LP algorithm is not included in the current version.
Gradient Calculations
This option specifies if one-sided or two-sided gradient calculations are
used:
1-sided Causes forward differences to be used when constructing
gradient approximations.
2-sided Causes central differences to be used. This option
requires twice as many function evaluations at a given solution, but
may provide a more accurate estimate of the constraint and
objective gradients, particularly for highly non-linear problems, or
problems featuring large amounts of noise.
In both cases, the perturbation size used for the Optimizer internal
variables is given by the Optimizer Perturbation property.
Suggested Default: 1-sided
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3-6
Optimizer Interface
Diagnostic Print Level

Select one of the following options:
None No Optimizer diagnostic file is produced.
Partial_1, Partial_2, or Partial_3 Increasing levels of Optimizer
output in the diagnostic file.
Full The maximum amount of useful information in the Optimizer
diagnostic file.
Excessive Only used for debugging the Optimizer.
Suggested Default: Partial_2
Max. Iterations
This parameter fulfils the following two roles:
When Algorithm is set to MDC_SQP / MDC_SLP, this parameter
gives the maximum number of Optimizer iterations allowed to
improve an already feasible solution.
When Algorithm is set to NAG_SQP, this parameter gives the
maximum number of major iterations. A major iteration in this case
consists of a sequence of minor iterations which minimize a linearly
constrained subproblem.
Suggested Default: 50
Max. Feasible Point

This parameter also fulfils two roles:
When Algorithm is set to MDC_SQP / MDC_SLP, this parameter
gives the maximum number of Optimizer iterations allowed to find
the first feasible solution.
When Algorithm is set to NAG_SQP, this parameter gives the
maximum number of minor iterations. A minor iteration in this case
represents a sequence of local improvements to the linearized
problem within a major iteration.
3-6
Optimizer
3-7
Max. Constraint Relaxations

This parameter relates to the Relax Violated Constraints flag. This flag is
used to drive the Optimizer constraint bounds to their extreme values
allowed by the Optimizer tolerances. This is done to help the feasible
point search part of the MDC_SQP algorithm find the first feasible
solution. The Max. Constraint Relaxations parameter gives a limit for the
number of times this can occur.
Max. Hessian Resets

The MDC_SQP algorithm operates using an approximation to the
matrix of second derivatives of the objective function. On some
problems, it is necessary to reset this approximation to the diagonal
matrix arising from the FPS Hessian Diagonal parameter (during the
FPS search) or to the diagonal matrix arising from the OPT Hessian
Diagonal parameter (during the OPT search). The Max. Hessian Resets
parameter gives a limit on the number of times this can be done.
This is useful if the algorithm suffers from step convergence meaning it
is not used when the algorithm converges according to other criteria.
Verify
In the NAG_SQP algorithm, you can carry out numerical checking on
gradient elements. Setting Verify to -1 switches off this checking. The
extent of the numerical checking conducted by the NAG_SQP algorithm
depends on the setting for Verify. Refer to the following table:
Value
Description
Results in a check on the gradients at the first feasible point.
Results in a check of the Optimizer objective gradients
Results in a check on the Optimizer constraint gradients
Checks both types of gradient. The checking takes place at the start of the
optimization.
Suggested Default: -1
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3-8
Optimizer Interface
DV_Level
Used to specify which gradients should be estimated by the NAG_SQP
algorithm. Refer to the following table:
Value
Description
Both missing constraint gradients and missing objective gradients are

estimated.
Missing constraint gradients are estimated
Missing objective gradients are estimated.
No action is taken.
This parameter is only to be used for debugging the Optimizer.

Objective Value
This displays the current plant model objective function value as
calculated by the Optimizer.
Termination Reason
An output from the optimization run, which is one of the following:
OK Used by the FPS to indicate a feasible termination of this
phase.
Impossible This output signifies either a non-implemented
Optimizer algorithm is selected, or the algorithms could not find a
solution to the linearized problem. In this case, the problem
constraint/variable bounds and feasibility tolerance parameters
should be checked.
No variables The number of variables in the problem is zero.
Step convergence During the Optimizer OPT phase of
MDC_SQP, the stepping back procedure has resulted in a step
collapse to below the Step solution tolerance.
Cost convergence During the Optimizer OPT phase of
MDC_SQP, two successive objective function values have returned
a difference in cost less than the Cost solution tolerance. Note that
only feasible points are considered for this test.
Flat A special case of cost convergence in which the objective
function gradient is zero. Usually indicates an incorrectly defined (or
scaled) objective function.
3-8
Optimizer
3-9
Gradient convergence Occurs when the gradient of the

Lagrangian function for the given optimization problem is less than
the Gradient solution tolerance.
Globally infeasible This occurs when the feasible region cannot
be seen from the FPS starting point (i.e., even the linearization of
the problem does not yield a feasible solution).
The MDC_SQP Optimizer expands the variable local bounds (the
Minimum and Maximum properties of the variables) out to the global
bounds (the Global Minimum and Global Maximum properties of the
variables) to attempt to solve the linearized problem with these
bounds. If this still yields no solution, the FPS phase conducts a
sequence of steps aimed at minimizing the constraint violations.
An objective function is constructed which contains the sum of the
constraint violations, and this function is minimized, producing a
feasible solution to the problem (if one exists).
Infeasible In the FPS phase of the optimization, if a step collapse
takes place while looking for a feasible point, then the problem is
considered to be infeasible due to this. This is not the same as
Globally infeasible.
Unbounded This occurs when the objective function is
unbounded below (or is badly scaled), i.e., can be reduced without
limit. This usually indicates incorrectly set constraint and/or variable
bounds.
Time out (feasible) This report is generated by the OPT phase of
the MDC_SQP Optimizer, when the number of Optimizer iterations
during the OPT phase exceeds the Optimizer Max. Iterations
parameter.
Time out (infeasible) This report is similar to the Time out
(feasible) report, except occurs during the FPS phase, when the
number of iterations exceeds the Max. Feasible Point parameter.
Not converged A report solely from the NAG_SQP algorithm.
Not run Set during the Optimizer initialisation phase. This is
reported in the Optimizer screen while the Optimizer is initializing.
Stopped Occurs when the you stop the Optimizer using the
control box on the Optimizer screen (beside the spreadsheet
button).
Actual Optimizer
This is output from the Optimizer. It gives the number of iterations the
Optimizer has conducted after finding the first feasible solution, when
the MDC_SQP/SLP algorithms are used. When the NAG_SQP algorithm
is used, this returns the number of major iterations used.
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Optimizer Interface
Feasible Point Iterations

This is output from the Optimizer. It gives the number of iterations the
Optimizer has conducted in order to find the first feasible solution,
again when the MDC_SQP/SLP algorithms are used. When NAG_SQP is
used, this returns the number of minor iterations from the last major
iteration (in this case the usefulness of this parameter is limited).
Solution Phase
This is output from the Optimizer. It describes the current phase of the
Optimizer search, which is one of:
Initialize A report that the Optimizer is initializing the diagnostics
file, and preparing to carry out the FPS search.
Results Reported when the Optimizer is writing the final solution
to the diagnostics file and completing any post-optimization
calculations.
Setup The Optimizer variables and constraints are being
inspected and set-up internally by the Optimizer using the usersupplied data.
FPS The beginning of the FPS phase of the Optimizer.
FPS Deriv The Optimizer is calculating the gradients of the
constraints and objective function during the FPS phase. This
occurs every time the Optimizer adjusts the current solution to
improve the feasibility of the current point.
FPS Visible The Optimizer has successfully solved the linearized
problem during the FPS phase.
FPS Invisible The linearized problem at the current solution in the
FPS phase cannot be solved.
FPS Shrink The Optimizer is stepping back during the FPS
phase. This occurs when the projected point in the FPS is less
feasible than the current point, and so the projected point is
adjusted.
Optim The Optimizer is preparing to enter the FPS phase.
OPT Deriv The Optimizer is calculating the constraint and
objective function gradients during the OPT phase.
OPT Search The Optimizer has successfully found a new,
improved solution which remains feasible, and has moved the
current solution to this point.
OPT Shrink The Optimizer is stepping back in the OPT phase.
This occurs if either the projected solution is infeasible, or the
objective function has increased.
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Optimizer
3-11
Gradient Evaluations
This reports the number of gradient (constraint and objective function)
evaluations during the course of the optimization. At present, this gives
the correct number only when the Numerical Gradients flag is checked.
Model Evaluations
This reports the number of plant model evaluations during the course of
the optimization. At present, this gives the correct number only when
the Numerical Gradients flag is checked.
Code Version
The current version of the Optimizer.
Total CPU Time

This reports the total time taken during both phases of the
Optimization, in minutes and seconds.
Start Objective
This gives the plant model cost function value at the starting point,
before carrying out any optimization.
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Optimizer Interface
Optim Configuration Tolerance Inputs (Tolerance Radio

Button)
This section contains the tolerances to be used for generating
approximations to the objective and constraint functions, controlling
the path taken to Optimizer feasible/optimal solutions, and for
determining whether an optimum point has been reached:
Sigma
This tolerance is not currently used.
Linesearch Tolerance
This is used by the NAG_SQP algorithm to control the accuracy of the
linesearch phase.
Suggested Default: 0.8
Function Precision
Gives the precision to which functions are to be evaluated by the
NAG_SQP algorithm. Used when constructing default Optimizer control
parameters.
Suggested Default: 10-8
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Optimizer
3-13
Optimality Tolerance
Gives the accuracy with which the linearized problem is solved by the
MDC_SQP algorithm. This parameter is a tolerance below which any
changes to the cost function of the linearized problem are considered to
have caused cost convergence when solving the linearized problem.
Suggested Default: 1.e-8
Row Tolerance
A tolerance used with the NAG_SQP algorithm which gives the feasibility
tolerance within which linear constraints are to be satisfied. If a linear
constraint violates a bound by a value not greater than the Row
Tolerance (in absolute terms) the constraint is considered to be feasible
by NAG_SQP.
In the current version of the Optimizer all constraints are considered to
be non-linear, and so this property is not used.
Nonlinear Row Tolerance.

As for Row Tolerance, except this applies to constraints defined as nonlinear.
Step
The step convergence limit used in the MDC_SQP algorithm. If the
algorithm at any point makes a step which is less than the Step
tolerance, the algorithm is considered to have converged on step.
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3-14
Optimizer Interface
Gradient
The tolerance which is the maximum value of the Lagrangian function
gradient for which the MDC_SQP algorithm is considered to have
converged on Lagrangian gradient. A value of 0.0 forces convergence of
either the Step or Cost kind.
Cost
This is the maximum magnitude of change in scaled objective function
between Optimizer steps for which the Optimizer is considered to have
converged on cost.
Zeta
The tolerance which is used in conjunction with the constraint Scale
properties to define the feasibility tolerance for constraints in the
MDC_SQP algorithm. The feasibility tolerance for an individual
constraint is Zeta * Scale, for the given constraint. A value of 1.0 means
that the feasibility of the individual constraints is controlled uniquely
through the individual constraint Scale property.
Bind
A tolerance used with the NAG_SQP algorithm and in the solution of the
linearized problem in the MDC_SQP algorithm. This tolerance gives a
value which is the maximum absolute difference between a constraint
and one of its bounds below which the constraint is considered to be
binding (active) in the linearized problem.
In general, the solution of the linearized problem satisfies the constraint
Minimum and Maximum property bounds, whereas the solution of the
true non-linear problem satisfies the bounds (Minimum - Zeta * Scale,
3-14
Optimizer
3-15
Maximum + Zeta * Scale) for the given constraint. In this way, by

enforcing tighter bounds in the linearization, there is a greater
likelihood of the problem remaining feasible when the non-linearities
are re-introduced.
Perturbation
The change in the scaled variables during gradient evaluation. An
individual variable in the Optimizer is scaled according to the variable
Minimum property, and the variable Span property (or the Range
property if the Optimizer Fix Variable Spans property is checked).
In general, the Optimizer scales the problem variables v to produce a set
of internal scaled variables x, according to the formula.
v j min
x j = ------------------S
(3.1)
Where min is the variable Minimum property, and S is the variable

Range property if the Optimizer Fix Variable Spans flag property is
checked (the variable Span property otherwise). This allows equal
magnitude gradients to be produced for all internal variables x,
regardless of the magnitude of the external (model) variables v, by
suitable choice of the variable Range properties.
The perturbation which is applied to the external variables v is therefore
S , where is the Optimizer Perturbation property.
Max. Iteration Step

Calculated by the Optimizer, this gives the current maximum step under
consideration for projecting the current point to the new point. The size
of this parameter is based on the current history of the optimization run.
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3-16
Optimizer Interface
Base Search Step

The upper limit for Max. Iteration Step. When the Optimizer finds a
sequence of good linear approximations to the constraints and
simultaneously improves the objective function, the Max. Iteration Step
can be reset to the Base Search Step.
Max. Allowed Move

This parameter gives the maximum allowable change in a scaled
(internal Optimizer) variable over the entire course of an optimization
run. A value of 1.0 indicates a 100% change in the variable.
FPS Hessian Diagonal

These give the starting values of the diagonal elements of the
approximated Hessian matrices before the FPS phase of the Optimizer,
of the MDC SQP algorithm.
OPT Hessian Diagonal

These give the starting values of the diagonal elements of the
approximated Hessian matrices before the FPS and OPT phases of the
Optimizer respectively, of the MDC SQP algorithm.
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Optimizer
3-17
Jacobian Elimination
The value below which entries in the Jacobian matrix are deemed to be
pure model noise, and are set to zero (or when the Optimizer Sparse
Jacobian flag is checked, are excluded from the Jacobian sparsity pattern
and hence never re-evaluated in future).
Max. CPU Usage

This parameter is not currently used.
Objective Scale Factor

This is used for scaling the objective function (and its gradient). The
given function is divided by the Objective Scale Factor.
Major Damping Parameter

Used in the NAG_SQP algorithm to restrict the effects of major iteration
variable moves of the scaled variables and the Lagrange multipliers. A
value of 2.0 restricts the variable move to 200%.
Minor Damping Parameter

Used in NAG_SQP to restrict the effects of minor iteration variable
moves. As Major Damping Parameter.
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Optimizer Interface
Penalty Parameter
This is used solely in the NAG_SQP algorithm. It is used for forcing
convergence of the linearized constraints solved in each NAG_SQP
minor iteration to their non-linear versions which are actually evaluated
in the major iterations. The larger the Penalty Parameter the slower the
algorithm converges upon a feasible solution, however, this may be
necessary for highly non-linear constraints.
Scaling Type
The scaling algorithm to be used by the NAG_SQP algorithm. When set
to 0, no scaling is done. Otherwise the NAG_SQP algorithm attempts to
scale the Jacobian matrix in order to make the matrix coefficients as
close to 1 as possible. To scale the rows only, the parameter should be set
to 1. To scale the rows and columns, the parameter should be set to 2.
Flow Field / Gradient Evaluation

Not used.
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Optimizer
3-19
Optim Configuration Flag Inputs (Flag Radio Button)

This section contains the Optimizer properties used for controlling the
nature of the Optimizer search, for specify methods for handling the
constraints, for initializing and terminating the Optimizer, and for
specifying the nature of the gradient calculations.
Omit Tech. Constraints

Indicates whether the technical constraints (specifications) are to be
omitted entirely from the constraint residuals when searching for a
feasible point. Technical constraints are used to obtain a valid model
solution, e.g. pressure drop or mass balance residuals. Process
constraints relate to the actual process being modelled, e.g. vessel
pressure or unit throughput limits.
Suggested Default: unchecked
Relax Violated Constraints

If the MDC_SQP algorithm cannot find a feasible point, one method of
proceeding is to relax the constraints. This property is therefore a flag
indicating whether all of the constraints (unchecked) or only those
which are currently violated (checked) are to be relaxed, during
constraint relaxation. The maximum number of relaxation steps is given
by the Max. Constraint Relaxations parameter.
Relaxing the violated constraints within the context of the MDC_SQP
algorithm means the constraint bounds in the linearized problem
(usually set to the constraint Minimum and Maximum properties) are
expanded out to the bounds (Minimum - Zeta * Scale, Maximum + Zeta
* Scale) for the given constraint.
Thus, under normal circumstances the linearized problem is solved to a
much higher tolerance level than the true non-linear problem (which
improves the chances of the current solution remaining feasible upon
introducing the non-linearities back into the problem). However, when
the Optimizer relaxes the violated constraints, both problems are solved
to the same tolerance (the capacity of the solution of the linearized
problem to satisfy the non-linearities is therefore much reduced).
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Optimizer Interface
Recentre
This is checked for testing purposes, in which case the Optimizer reflects
the effects created by an on-line Optimizer. The Optimizer variable soft
limits (the Minimum and Maximum properties) are re-calculated so
that at the start of optimization, the current value of the variable lies
mid-way between the soft limits, while ensuring that the soft limits do
not fall out of range of the global limits.
Restricted Step
Used to indicate to MDC_SQP that the Max. Allowed Move parameter is
to be used to limit the overall change in the Optimizer variables brought
about during optimization. When this flag is checked, the optimization
algorithm reduces the upper bound of each optimization variable by the
Max. Allowed Move parameter, and increases the lower bound by the
same amount.
Include Fixed Constraints

If this is checked then Optimizer variables that have their Optimize Flag
property checked are nevertheless included in the optimization. This
acts on every variable, and its Optimize flag property is checked.
Otherwise, such variables remain with fixed values during the
optimization.
NAG Calculated Gradients

If this flag is checked when the NAG_SQP algorithm is being used, then
the NAG_SQP algorithm itself carries out numerical calculation of any
gradient elements needed.
3-20
Optimizer
3-21
Fix Variable Spans

This flag indicates whether the Span (i.e. Maximum - Minimum) of the
Optimizer variables is to be calculated and stored, or taken directly from
the stream Range property (which is user-specified for each variable).
Sparse Jacobian
Checked when the user wants the Optimizer to calculate the Jacobian
matrix of constraint gradients in sparse form (by storing only the
nonzero elements, which usually indicates constraint-variable
functional dependence). This is done once, at the start of the
optimization, and establishes which Jacobian elements are stored for
the rest of the optimization (the sparsity pattern).
Numerical Gradients
Used to indicate to the Optimizer the origin of the gradient elements for
the constraints and objective function.
If the flag is checked, the Optimizer carries out numerical
calculation of the gradients by direct perturbation of variables using
the method specified in the Gradient Calculation flag.
If it is unchecked, the Optimizer obtains the gradient elements from
HYSYS.RTO using the same method. The main difference is that in
the latter case certain gradient elements may be computed
analytically, and are therefore potentially more accurate.
Include Scales
Whether the constraint Scale properties are to be included when
normalizing the Jacobian matrix of constraint gradients and calculating
the bounds for the linearized subproblems in the MDC_SQP algorithm.
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3-22
Optimizer Interface
Adjust Scaling
Not used.
Pert_Reset
Used at the start of optimization to indicate that the gradient calculation
process removes noise elements (checked) or not (unchecked).
When calculating the gradient functions by perturbing Optimizer
variables, model noise is introduced into the gradient elements, which
can mislead the Optimizer. When perturbing variable vj, if it does not
affect constraint ci, the corresponding noise can be removed from the
gradients by recalculating the constraint functions after removing the
perturbation from the variable.
This recalculation is done once for each variable, (i.e., for the first
gradient calculation) and is used for establishing the sparsity pattern of
the Jacobian matrix. The sparsity pattern is stored for use during the rest
of the optimization, if the Sparse Jacobian property flag of the Optimizer
is checked.
The advantages of this method are as follows:
Removes noise terms which can mislead the Optimizer.
Does not need the Jacobian Elimination tolerance parameter, which
may be difficult to set.
Is required once only (the efficient sparse storage of the Jacobian
eliminates this kind of noise from all future Optimizer steps).
The disadvantages are as follows:
For certain models it may take much more CPU time to carry out the
extra plant model evaluations, compared with the use of the
Jacobian Elimination tolerance method.
The presence of structural zeros in the Jacobian matrix are ignored.
A structural zero is a forced presence of a Jacobian element, which,
during first pass evaluation of the Jacobian, is zero and therefore
could be excluded from the sparsity pattern.
This flag should be checked along with the Sparse Jacobian flag, since it
takes advantage of the removal of model noise in terms of future
computation of gradients and their storage. However, it is still possible
to use this method with a dense Jacobian matrix (where all zero
elements are retained during optimization).
3-22
Optimizer
3-23

If empty or invalid values are entered, the Optimizer uses a set of inbuilt default values.
3.1.1 Calculations
The Optimizer controls the running of the continuous optimization
algorithms. A description of the techniques used is given in the
Continuous Optimizer Overview.
3.1.2 Results
The results produced at the end of the optimization run are as follows:
A price for the current model data

Values of the Optimizer constraints and variables
Shadow prices for the constraints and variables, if they exist
A termination reason
A feasibility flag for the model data at termination of the Optimizer
Iterations taken
CPU time taken
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Optimizer Interface
Derivative Utility
4-1
4 Derivative Utility
4.1 HYSYS.RTO Variables - Properties.................................................3
4.1.1
4.1.2
4.1.3
4.1.4
Inputs: Object Object Name - Range .......................................4

Inputs: Global Minimum - Price ................................................6
Inputs: Sparse Column - Jac Num ...........................................7
Calculations..............................................................................8
4.2 HYSYS.RTO Constraints - Properties ............................................9

4.2.1
4.2.2
4.2.3
4.2.4
Inputs: Object Name - Maximum............................................10

Inputs: Scale - Sparse Row....................................................11
Inputs: Current Bias1...........................................................13
Calculations............................................................................14
4-1
4-2
4-2
Derivative Utility
4-3
4.1 HYSYS.RTO Variables Properties

The Variables in a HYSYS.RTO optimization problem are held in a
Derivative Utility. This is used for holding all of the data used for
defining the HYSYS.RTO Optimizer constraints and variables.
Figure 4.1
For detailed information on the Optimizer properties, see the Optimizer

Properties document[3].
The Optimizer contains a number of properties used for specifying
and controlling an optimization problem for a given HYSYS.RTO
case.
The Optimizer is also associated with a Derivative Utility which
contains, a list of Independent Properties and Dependent
Properties. The Independent Properties are the variables in the
plant model that are changed to satisfy the Dependent Properties
(the constraints on the plant model) simultaneously minimizing the
plant model cost function.
4-3
4-4
HYSYS.RTO Variables - Properties
This document has the following styles:

All properties of the Optimizer/Variables/Constraints are shown in
italic.
Important notes are shown in bold.
4.1.1 Inputs: Object Object Name - Range

The Independent Properties have a number of inputs and they are
described following the figure below:
Figure 4.2
The Independent Properties inputs are as follows:

Object Name The name of the HYSYS.RTO object which is used
as optimizer variable.
Attached Object The object (e.g., Stream or Unit Op, etc.) that is
attached or associated with the listed variable.
Attached Property The property relating to the Attached Object
and variable.
Start Value The starting value for the property of the Object Name
in the plant model.
4-4
Derivative Utility
4-5
Status The current status of the variable, which is calculated by

the Optimizer. Unlike constraints, variables are not allowed to move
out of their bounds. The Status property is set to one of:
Not Evaluated The status of the variable is not evaluated by
the Optimizer.
Inactive The variable Output property lies between the Minimum
and Maximum properties, but not on one of the bounds.
Equality The maximum and minimum properties of the variable,
Minimum and Maximum, are equal, and the Output property has the
same value as well.
Active Low The variable Output property value is equal to that of
the Minimum.
Active High The variable Output property value is equal to that of
the Maximum.
Current Value The current value for the property of the Object
Name in the plant model.
Optimize Flag Determines if the variable is to be used in the
optimization process. If this flag is not set, no attempt is made by the
Optimizer to include this variable into optimization process.
Minimum The lower bound property for the variable during the
optimization process. This value might be different from its global
minimum, if the change in the variable is restricted to its allowed
amount, set by the maximum rate of change, during the period in the
optimization process.
Maximum The upper bound property for the variable during the
optimization process. This value might be different from its global
maximum, if the change in the variable is restricted to its allowed
amount, set by the maximum rate of change, during the period in the
Range A user-specified alternative for the span. The purpose of
the range is to scale the gradients of the cost function and
constraints, to give similar gradient magnitudes for each variable.
The gradients of the objective function (and constraints) vary
inversely with the variable ranges.
4-5
4-6
4.1.2 Inputs: Global Minimum - Price

Figure 4.3
Global Minimum Represents the absolute minimum value for

which the variable is operated. This value is user-specified.
Global Maximum Represents the absolute maximum value for
which the variable is operated. This value is also user-specified.
Span The difference between the Global Minimum and Global
Maximum values for the variable and is calculated by the variable
set-up. The role of the span is to convert every variable into the
range (0, 1), to use uniform numerical perturbations and
convergence tests.
Output It is the current value of the variable in the plant model.
The output value is determined by the optimizer during the
Price The shadow price (Lagrange multiplier) for the given
variable, calculated by the Optimizer. The shadow price is used to
estimate the effect which small changes to variable bounds have on
the plant cost function.
4-6
Derivative Utility
4-7
4.1.3 Inputs: Sparse Column - Jac Num

Figure 4.4
Sparse Column The column occupied by the given variable in the

Jacobian matrix. Unused variables are given a sparse column of 0.
Old Var Value This is the cached value of variable prior to
perturbation, during gradient calculation.
Delta Var The change in variable after perturbation, during
gradient evaluation.
Gradient
Tear Variable
Jac Offset The Jacobian Offset.
Jac Num The Jacobian Number.
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4-8
4.1.4 Calculations
The following properties are set by the user before an optimization run:
Global Minimum
Global Maximum
Range
Start value
Sparse Column
The following properties are Initialized by the HYSYS.RTO model before

an optimization run:
Minimum
Maximum
Span
The following properties are updated by the HYSYS.RTO model during
Old Var Val
Delta Var
The following properties are updated by the Optimizer during and after
Status
Price
Output
4-8
Derivative Utility
4-9
4.2 HYSYS.RTO Constraints Properties

Figure 4.5
The constraints in a HYSYS.RTO optimization problem are held in a

Derivative Utility and are used for holding all data used for defining the
HYSYS.RTO Optimizer constraints and variables. For details about the
Optimizer properties, see the Optimizer Properties document[3].
The Optimizer contains a number of properties used for specifying and
controlling an optimization problem for a given HYSYS.RTO case. It is
associated with a Derivative Utility that contains a list of Independent
Properties and Dependent Properties. The Independent Properties are the
variables in the plant model that are changed to satisfy the Dependent
Properties (the constraints on the plant model) simultaneously
minimizing the plant model cost function.
Properties of the Optimizer/Variables/Constraints are shown in italic
and important notes are bold.
4-9
4-10
HYSYS.RTO Constraints - Properties
4.2.1 Inputs: Object Name - Maximum

Figure 4.6
The Dependent Properties have a number of inputs and they are as

follows:
Object Name The name of the HYSYS.RTO object to be
constrained.
Attached Object The object (e.g. Stream or Unit Op, etc.) that is
attached or associated with the listed variable.
Property The property related to the Attached Object and
variable.
Current Value The current value for the property of the object
Name.
Use Flag Determines whether the constraint is to be used in the
optimization. If this flag is not set, no attempt is made by the
Optimizer to satisfy this constraint.
Minimum The lower bound for the constraint, which is userspecified.
Maximum The upper bound for the constraint, which is also userspecified.
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Derivative Utility
4-11
4.2.2 Inputs: Scale - Sparse Row

Figure 4.7
Scale A user-supplied number that gives the scale on which the

feasibility of the constraint is measured. This property is used in
conjunction with the Optimizer Zeta property, which is a relative
feasibility tolerance. In general, a constraint is said to be feasible if:
Minimum Scale Zeta Current Maximum + Scale Zeta
Where Minimum and Maximum are the lower and upper bound
properties respectively, of the constraint, and Current is its current
value (equivalent to Hooked Property for constraints which have the
Use Flag checked).
Minimum Chi Square Determines whether or not a chi-square
test is done for the constraint.
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4-12
Status The current status of the constraint, which is calculated by

the Optimizer. The Status property is set to one of:
Not Evaluated The status of the constraint has not been evaluated
by the Optimizer.
Inactive The constraint Current property lies between the
Minimum and Maximum properties, but is neither Active High nor
Active Low.
Violated Low The constraint Current property is less than
Minimum - Scale x Zeta, where Scale is the constraint Scale property
and Zeta is the Optimizer Zeta tolerance property.
Violated High The Current property is greater than Maximum +
Scale x Zeta.
Active Low The constraint Current property is less than Minimum
+ Scale x Zeta, but greater than Minimum - Scale x Zeta.
Active High The constraint Current property is greater than
Maximum - Scale x Zeta, but less than Maximum + Scale x Zeta.
Normalization When the Jacobian matrix is first calculated (first

pass evaluation) the Normalization property for the constraint is set
to be the largest Jacobian entry in the row ( Sparse Row ) of the
Jacobian matrix corresponding to this constraint. This number is
used to normalize the rest of the given Jacobian row, for all
remaining Optimizer search steps (i.e., is not recalculated).
Base Value When calculating the gradient of a given constraint
with respect to each variable, the internal scaled variable is
perturbed away from the current point by adding the number
specified in the Optimizer Perturbation property. The new value of
the constraint is found corresponding to the new variable value, and
the change in constraint, divided by the change in the variable, is the
corresponding Jacobian element.
The constraint Base property stores the pre-perturbation value of
the constraint. Under certain circumstances, however, the Base
property itself can change during the Jacobian calculation. This is
due to the fact that removing a perturbation from a perturbed
variable, and re-running the plant model, will not reproduce the
previous Base property within the constraint Current property; this is
due to noise in the model arising from non-zero convergence
tolerances (i.e., the de-perturbed constraint Current differs slightly
from the pre-perturbed Current).
Therefore, under certain circumstances (when the Pert_Reset flag
property of the Optimizer is checked) the Optimizer will remove the
perturbation from the variable, re-run the plant model, and then reset the Base property of the constraint to match the re-calculated
Current property. This eliminates associated noise from the
Jacobian matrix. This method is discussed in more detail in the
Optimizer Properties document[3], in the Pert_Reset section.
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Derivative Utility
4-13
Price The shadow price (Lagrange multiplier) for the given

constraint, calculated by the Optimizer. If a feasible solution is found
by the Optimizer, then a simple interpretation of the Lagrange
multiplier is that it gives the gradient of the cost function along the
corresponding constraint normal. Thus, the shadow price indicates
the approximate change to the objective function when increasing
(i.e., relaxing) the given active bound by a unit amount.
Hard Constraint A user-specified flag that indicates whether the
constraint is a technical one, i.e., is a process specification such as
a mass balance or a temperature, as opposed to purely an
economic constraint.
Off Flag A user-specified flag that indicates whether the constraint
is in the 'off' state, or not. This is often used when related items of
equipment are being constrained, which themselves have an on-off
behaviour.
Sparse Row The number of the row in the Jacobian matrix which
is occupied by the given constraint.
4.2.3 Inputs: Current Bias1

Figure 4.8
Current The current value the constraint possesses in the plant

model.
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4-14
Old Cons Value The value of the constraint prior to perturbation

of a variable, during gradient calculation.
Bias1
Delta Cons The change in constraint after perturbing a variable,
during gradient evaluation.
4.2.4 Calculations
The following properties are updated by the HYSYS.RTO model during
Base Value
Old Cons Val
The following properties are updated by the Optimizer during and after
4-14
Status
Normalization
Price
Sparse Row
Current
ESTIM DRU Overview
5-1
5 ESTIM DRU Overview

5.1 The Problem .....................................................................................3
5.2 The Solution .....................................................................................3
5.3 The Benefits .....................................................................................4
5.4 ESTIM DRU Facilities .......................................................................5
5.4.1 Error Detection/Correction........................................................5
5.4.2 Model Updating ........................................................................5
5.4.3 Utilities......................................................................................5
5.5 Using ESTIM DRU ............................................................................6
5.5.1 Measurement Problem .............................................................6
5.5.2 Basic Methods..........................................................................7
5.6 Configuring a Fitting Problem ......................................................10
5.6.1
5.6.2
5.6.3
5.6.4
5.6.5
Configuration Tab ...................................................................11

Results Tab.............................................................................14
Stream Initialization Tab .........................................................16
Parameter Fit Tab ...................................................................17
DCS Tags Tab ........................................................................18
5.7 Estim Data Set Analysis ................................................................19

5.8 Optimization Objects .....................................................................20
5.8.1 Connection Tab ......................................................................21
5.8.2 Properties Tab ........................................................................22
5.8.3 Transfer Tab............................................................................25
5.9 General Notes.................................................................................25
5-1
5-2
5.10 ESTIM DRU Diagnostic File Output............................................ 26

5.10.1 Initial Problem Parameters ................................................... 27
5.10.2 Iteration Output .................................................................... 29
5.10.3 Final Output ......................................................................... 31
5-2
ESTIM DRU Overview
5-3
5.1 The Problem

Modern instrumentation and distributed control and management
information systems produce a wealth of plant data. The plant
operator/manager has a problem making sense of all this data where:
It may be inconsistent or inaccurate.
It may not give a complete or understandable indication of plant
performance.
In addition, plant models can only be configured to a specific
operational instance, whereas the performance of actual equipment
varies as conditions change and equipment degrades. Thus, the model
behaviour may start to diverge from actual plant behaviour.
5.2 The Solution

The ESTIM DRU addresses these issues and produces concise
information to aid decision making and aid model tuning and off-line
investigation.
Firstly, it can perform data reconciliation. Measurements are subject to
error and, therefore, provide inconsistent information. ESTIM DRU can
detect and correct measurement errors, thereby providing a consistent
and accurate data set.
Secondly, a model representing a specific item of plant can be updated
whereby ESTIM DRU is able to reconcile model and actual plant values,
to ensure that the model continues to represent actual plant
performance.
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5-4
The Benefits
5.3 The Benefits

The ESTIM DRU brings real benefits by ensuring good representation of
plant equipment, and providing indications of poor plant data as an aid
to decision making in the following areas:
Identification of process unit performance, in particular condition
monitoring.
Identification and quantification of instrument errors.
This leads to improvements due to:
Better process operation in general.
More effective and efficient equipment maintenance and/or
replacement.
More effective and efficient instrument maintenance.
Improved plant model representation.
Applications
Current applications of the ESTIM DRU include:
Compressor model updating/condition monitoring

Catalyst performance monitoring/updating
Thermal cracker model updating
Steam system data reconciliation
Gas turbine model parameter updating
Heat exchanger fouling effect updating
Reactor model parameter updating
Boiler model updating and condition monitoring
General network reconciliation (e.g., oil & gas fields, steam systems,
etc.)
In fact, anywhere where plant measurements are available around

process equipment, the ESTIM DRU can be applied.
5-4
ESTIM DRU Overview
5-5
5.4 ESTIM DRU Facilities

5.4.1 Error Detection/Correction
No measurement is perfect, so by using a number of sets of data and
statistical routines, the ESTIM DRU sorts the good from the bad and
only uses good data. This is a pre-requisite for model updating and the
essence of data reconciliation.
5.4.2 Model Updating

The ESTIM DRU can update the parameters of even the most complex
model.
5.4.3 Utilities
The ESTIM DRU invokes a number of statistical and optimization
routines to perform the following tasks:
Parameter Estimation Calculation of model parameters which
may change with time, such as reaction rate coefficients, heat
transfer coefficients, etc.
Data Reconciliation Model based reconciliation of overdetermined systems, such as steam system mass balancing, where
there are many flow-meters, or estimation of power output of a
turbine with both steam flow and driven load being measured.
Bad Data Elimination Results of data reconciliation calculations
can be examined statistically to determine whether bad data is
present, and if so eliminate the bad data.
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5-6
Using ESTIM DRU
5.5 Using ESTIM DRU

The ESTIM DRU comes in the form of a tool kit, comprised of the
following:
A set of related screens in HYSYS for attaching an ESTIM DRU to a
HYSYS plant model simulation case.
Demonstration examples describing how to use the DRU[1]. This lets
you configure plant model updating and data reconciliation routines
within the HYSYS environment without recourse to programming or
expert assistance.
5.5.1 Measurement Problem

Measurement devices are often assumed to have zero bias and random
errors, i.e. the instrument is assumed to be in working order, (correctly
calibrated) so that any deviations from true are due to "noise".
Expressed mathematically we have:
y = x+e
(5.1)
Where y is the reading on the instrument, x is the true measurement and

e the error. The mean of e is assumed to be zero and the distribution
symmetric, i.e. the error is assumed equally likely to be positive or
negative and, given enough readings, its affect disappears.
This model of instrument errors is used as a basis of many traditional
methods of data reconciliation, e.g. least squares. However, equation (1)
is not generally the case and, in practice, the most serious problem is
due to gross errors and real bias, represented by broken or badly
calibrated instruments. Thus, it is no surprise that the application of
traditional methods is unsatisfactory and has the effect of sharing out
the errors so that in a case where just one instrument is in error, all
instruments are affected.
5-6
ESTIM DRU Overview
5-7
Therefore, methods such as least squares can not be relied on

exclusively. Within ESTIM DRU these methods are pre-fixed by others
which are based on the assumption that measurements may be either
grossly wrong or out of calibration.
5.5.2 Basic Methods

There are a number of techniques within ESTIM DRU that can be used.
The current available techniques are:
Elimination of Measurement Bias

Solution of the Unbiased Problem
Practical Considerations
Estim. Offline - For Model Updating
Elimination of Measurement Bias

As identified in the last section, where there are systematic errors and
failures the real world problem is transformed into one where there is no
bias and the errors are random. This is done in two ways:
Allowance for Systematic Errors To cope with systematic errors
offset variables are introduced into the problem to represent these
errors.
Integer Programming This allows the identification of grossly
wrong instruments, i.e. stuck or failed. Instruments from the
historical data-set can be systematically disregarded.
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5-8
Using ESTIM DRU
Solution of the Unbiased Problem

Normal Least Squares This estimator requires that no statistical
(a prior) weighting may be applied to an accurate measuring device,
such as a thermocouple, or a lower weighting to an analyser.
Fundamental weighting exists between offsets and parameters to
bias the calculation method between these two types of fitting.
Minimum Has knowledge of the measurement and calculates the
values of the model parameters (and measurement offsets) which
minimize the sum of the squares of the differences between the
actual and predicted data.
Weighted Least Squares The least squares estimator may be
modified by adding weighting factors on certain errors to either
preferentially reduce errors or allow for differences in measurement
quality. For example, a higher Variance - If we have information on
the variance (likely error bound) of the measuring elements we
can use a minimum variance estimator. This minimizes the variance
of the estimator, rather than the error squared. It can be compared
to weighted least squares with weights of 1/ .
Practical Considerations
When using parameter updating for a model it is important to have a
large enough history of results, which, over a short time period is
unlikely. There are two reasons for this requirement and they are as
follows:
Firstly, it is impossible to update a performance curve, such as the
efficiency/flow curve on a compressor, from a small knot of data.
Depending on the technique, the best that can happen is the curve
moves up or down, and the worst that can happen is the curve
becomes totally wrong towards the extremes.
Secondly, it is impossible to calculate a goodness-of-fit parameter.
This makes determination of faulty measurements difficult.
When these problems are anticipated, it is better to adopt a strategy
where an updated correction factor is applied to the model curve
instead of updating the performance curve.
This does not preclude updating performance curves in the longer term
by manual inspection and re-fitting.
HYSYS models are written in such a way that it is a simple task for ESTIM
DRU to update either a curve or a performance parameter.
5-8
ESTIM DRU Overview
5-9
Estim. Offline - For Model Updating

Using the ESTIM DRU for model updating is purely a matter of
configuration. No programming or expert knowledge is required.
The basic task is to identify the following elements:
A list of measured values from the plant that are used to update
model parameters. These values should represent data that can be
used as inputs to the model and data that corresponds to calculated
results of an associated model run. At a minimum, at least one datapoint corresponding to a model result must be configured.
A list of parameters to be updated. The parameters should have an
effect on the chosen model calculated results.
A list (subset) of the measurement data to which offsets are applied.
Scaling being applied to the measurement data and general
problem. This should initially be chosen so the scaled values are of
the same order of magnitude, before further scaling is implemented
to bias certain measurements.
The model being run which produces the modelled values. This may
be a model of the whole plant, or just of a single unit.
The following is an example of model updating.
If we take a model with parameters, for example a compressor, the
flowchart within ESTIM DRU consists of the following steps:
1.
Read actual performance data from measurements.
2.
Calculate model performance based on measured model input data.
3.
Optimize model parameters to minimize the difference between

actual performance (measured) and predicted performance
(calculated).
4.
Calculate goodness of fit and statistical properties based on selected

model parameters. If the goodness of fit is acceptable, update the
model parameters.
The following is an example of the steps involved in measurement offset

fitting, including data elimination:
1.
Read actual performance data from measurements.
2.
Calculate model performance based on zero-offset measured model

input data.
3.
Optimize measured data offsets to minimize the difference between

actual performance (measured) and predicted performance
(calculated).
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5-10
Configuring a Fitting Problem
4.
Calculate goodness of fit and statistical properties based on selected

measurement offsets. If the goodness of fit is acceptable, update the
measured data offsets.
5.
Calculate the data elimination goodness of fit. If the fit is good, the
task is completed. If the fit is bad, eliminate the offset fitting for the
data set with the largest relative offset, and allow the offset to "float"
(i.e. remove from the offset portion of the fitting function and allow
the routine to select an unrestricted fit value). Recalculate the fitting
problem with the eliminated data set.
5.6 Configuring a Fitting Problem

The ESTIM DRU fitting configuration is carried out in HYSYS using the
Data Reconciliation Utility model detailed below. Figure 5.1 shows the
Data Reconciliation Utility property view.
Figure 5.1
5-10
ESTIM DRU Overview
5-11
5.6.1 Configuration Tab

The Configuration tab of the Data Reconciliation Utility property view
is comprised of the following three groups:
Problem Formulation
Solver Parameters and Tolerances
Data Set Configuration.
Problem Formulation Group

This group defines the main user-controls to be supplied with data to fit
the parameter and/or measured data offsets. In the Fitting column, the
parameter fitting can be switched off or on using the Mode cell.
The Confidence can be set to determine the level of fit required for a
good result. The higher the confidence, the closer the fit needs to be to a
normalized curve for the fit to be deemed good.
The Run After N counter allows the ESTIM DRU model to be exercised
to only perform the fit calculations every N-th time. This allows the
associated measurement data blocks to gather the historical data
without full recalculation being performed for each new data set. If
required, the counter can be set to 1. The Current field indicates the
current number of runs related to this.
The Maximum cell allows you to enter a maximum number of iterations
(error function gradient evaluations, i.e., optimizer moves) for
calculating the optimal parameters.
In addition, the utility produces a diagnostic file: diagnostic print can be
set to levels of None, through to Downpour (no diagnostics through to
full diagnostics).
5-11
5-12
Solver Parameters & Tolerances Group

The ESTIM DRU tolerances can be user defined using the Data
Reconciliation Utility property view. If tolerances are not defined,
default values (generated/set by the optimization algorithm) are used.
The Central and Forward Difference Intervals are used to determine the
perturbation in the parameters / offset used for the calculation of the
(error function) objective gradients with respect to the variables. If these
values are not set, the optimization routine uses additional model
evaluations to determine the values to be used.
The Optimality Tolerance is the smallest relative change in the total
error function during the error minimization below which the
optimization is deemed to have converged by the algorithm.
The Linesearch tolerance is used by the optimization routine to
determine the accuracy of the optimal step with respect to the gradient
evaluations. The larger the Linesearch tolerance, the further along the
optimal path the next optimal step will be. This number must be
between zero and one.
The Maximum Step determines how far each of the variables
(parameters, offsets) can be moved in an optimal step. This prevents the
optimizer from overstepping on each iteration, thus speeding solution.
The Maximum Iteration Limit determines the maximum number of
iterations allowed to the optimizer to generate its optimal solution.
Generally, after approximately five iterations, the optimizer is close
enough to the fitting solution to be terminated with confidence. This is
because the optimization problem is unconstrained, the only limits are
imposed from the parameters.
The Objective Scaling allows the emphasis between offset and
parameter fitting to be varied when both offsets and parameters are
fitted simultaneously. The emphasis is squared based on the given
number; a function scale factor of 10 places 100 times more emphasis
on the elimination of measured / model error than on fitting the offsets.
The Convergence Tolerance is the smallest change to occur to every
parameter/offset below which the minimization is deemed to have
converged.
5-12
ESTIM DRU Overview
5-13
Data Set Configuration Group

The minimum number of good data sets required for an Estim DRU
calculation is given in Minimum Data sets. A good data set is one that is
not excluded at the start of the ESTIM DRU calculation. The maximum
number of historical data sets to be stored locally during the estimation
(but not necessarily all used) is given in Maximum Data Sets. You can
set this to store as many time-slices of information as he/she wishes
(although the upper limit is 32).
The number of data sets in the parameter estimation problem is given in
Current Data Sets. Eventually, after a sufficient number of ESTIM DRU
runs this number is equal to the Maximum Data Sets parameter. The
measurement horizon for the data is given in Horizon. This gives the
number of most-recent data sets to be used in the ESTIM DRU, out of
the Maximum Data Sets stored.
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5-14
5.6.2 Results Tab

Figure 5.2
The updating routine produces a set of results, that can be seen on the
Results tab of the Data Reconciliation Utility property view.
The Fit Error (Total) gives the total sum of the errors, for all the
datablocks of reach good historical data-set, between the measured
values and the model calculated values, the error being calculated using
the final value of the predicted parameters and measurement offsets.
The value of x2 gives the x2 calculation bases on the sum of the data
block errors scaled by the sigma, s, for each of the output data blocks.
This value is then checked against the maximum x2 value (Maximum
Chi2), which is calculated from the stated confidence and the calculated
number of degrees of freedom (Degrees of Freedom) for the problem. If
the calculated x2 values is less than the maximum value, the Fit flag is
deemed good, and the parameters and offsets are updated. A bad fit
leaves the parameters and offsets with their original values.
5-14
ESTIM DRU Overview
5-15
The Goodness of Fit returns whether a good or bad fit was returned by
the x2-test. Major Iterations indicates the number of parameter
variation steps undertaken by the optimization algorithm with
minimizing the total error.
The value for Function Calls indicates how many times the plant model
was executed by the updating algorithm in arriving at the fit answer.
The change in objective function can be seen by comparing the Starting
Objective to Final Objective. The objective quoted is the actual objective
seen by the optimization routine, and is based on the scaled offsets and
error functions.
A summary of the user-supplied parameters is also supplied in the
Number Of group.
Parameter/Offsets
These are the most important results obtained from the updating. They
define the parameters which most accurately describe the actual plant
for the data given in the model input and output blocks.
The parameter results can be viewed on the Parameter Fit tab.
The calculated offsets can be seen by examining the individual data
blocks on the DCS Tags tab as shown in the next section.
In most cases, successive updating over time should result in a
progressively more accurate solution.
5-15
5-16
5.6.3 Stream Initialization Tab

Figure 5.3
Figure 5.3 shows the Stream Initialization tab. This indicates the
connections from the estimated entries in the plant model to the
measurement data list that contains the input and the output
measurement data blocks. The screen identifies whether a
measurement data block is a model input or calculated result.
This form displays information concerning flowsheet model inlet /
outlet streams, energy streams, and internal streams. An inlet stream is a
stream in the model that is an inlet to a reconciled unit operation
(targeted using the Target Objects button), but not an outlet. An outlet
stream is an outlet to a reconciled unit operation, but not an inlet.
Energy stream refers to the standard HYSYS energy streams. Internal
streams are both inlet and outlet streams (i.e., are both feeds and
products to unit operations), or are either feeds or products to a unit
operation which is not reconciled. The initialization prior to carrying
out a run of the estimation is done using DRU streams, streams created
by you specially for the purpose of storing simulated plant data in
5-16
ESTIM DRU Overview
5-17
flowsheet streams; the DRU streams are effectively storage mechanisms.

The Multiple flag column indicates whether historical data is available
for the flowsheet stream, data which is stored in the ESTIM DRU object;
if unchecked, any specified values of the corresponding flowsheet
stream are held constant for the duration of the parameter estimation.
The Data Sets column indicates the number of data sets available for
each stream kind (Inlet, in this case). The Comp Basis column represents
the basis for the component calculation in each stream.
5.6.4 Parameter Fit Tab

Figure 5.4
The model parameters can be accessed from the Parameter Fit tab of
the Data Reconciliation Utility property view. These are the parameters
that are adjusted to give the best fit of the model to the data given in the
output blocks, e.g., the efficiency of a heat exchanger or the reaction
coefficients of a reactor model.
5-17
5-18
The Minimum and Maximum values define the range over which the
parameters are allowed to vary. These values should be considered
carefully so as not to constrain the model to a region in which the model
solution is greatly different from the actual plant.
The Start and Current values show the values of the parameters before
and after an update was carried out. After an update, and only if the fit is
good, the new values are placed directly into the model. The Result
Value stores the value of the parameter after the last run of the ESTIM
DRU. The Hooked Object/Variable refer to the object and property in
the flowsheet model which is estimated.
5.6.5 DCS Tags Tab

Figure 5.5
The DCS Tags tab is used for defining the transfer of measured data to
the flowsheet model during the ESTIM DRU calculations.
5-18
ESTIM DRU Overview
5-19
The Tag Filter group has options to display model Input data, Output
data, or All data (input and output), depending on the radio button
selected. Input data consists of property values of streams that are read
in the model, but are not reconciled. Output data, consisting of property
values, are then reconciled to these (read) values by the parameter
estimation algorithms in the ESTIM DRU.
5.7 Estim Data Set Analysis

Figure 5.6
When running ESTIM DRU offline, the Data Set Analysis view can be
used to see how well each variable behaves over up to 15 data sets, or
how up to 15 variables perform against observed plant data for any
particular data set. The absolute and percentage difference between the
observed and predicted data, and the arithmetic average and standard
deviation of these differences are displayed to show the statistical
accuracy of the model.
The Data Set Analysis view is accessed by clicking the Data Set Analysis
button on the Data Reconciliation Utility property view after running
the ESTIM DRU offline. The view includes both Good and Bad data.
Select the data sets to be included in the analysis and either input tags or
output tags. The analysis is run by clicking the Run button on the above
screen.
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Optimization Objects
5.8 Optimization Objects

An ESTIM DRU stream (discussed in Section 5.6.3 - Stream
Initialization Tab) and DCS Tags (discussed in Section 5.6.5 - DCS Tags
Tab) are considered to be Optimization Objects. These optimization
objects are input tags or output tags, corresponding to input or output
data from the model.
These objects can be accessed by selecting Optimization Objects from
the Flowsheet menu on the desktop. A given optimization object can be
edited by highlighting it and clicking the Edit button on the Select
Optimization Object dialog.
Figure 5.7
The Optimization Object property view for the selected object displays.
There are three tabs in this property view:
Connection
Properties
Transfer
These tabs are described in the following sections.
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ESTIM DRU Overview
5-21
5.8.1 Connection Tab

Figure 5.8
The Connection tab gives the connections of an optimization object to

the flowsheet Object name. The connection in this case is to an extra
data value of the T-100 column.
5-21
5-22
5.8.2 Properties Tab

Figure 5.9
The second tab lists the Properties of an optimization object. The

myvarval property (my variable value) stores the value of the
connected object property. The scale value is used to scale the measured
values, and hence the (measured - model) error, to ensure the optimizer
objective function sees the errors with required weightings. Generally,
the scaling should be selected so that the relative values for each of the
errors on the model outputs is approximately equal. This ensures the
optimizer selects a fair set of parameters and/or offsets to fit equally on
the measured outputs.
If an output is to be favoured, its scaling should be smaller so the relative
error is larger, forcing the optimizer to correct that error over the other
errors. For offset fitting, the scaling is important for both input and
output blocks since the offset is scaled by this amount for the objective
function. For output blocks the scaling is also used to calculate the
relative error between the measured and model values, so offset is
scaled the same as the error. To counter this, the ESTIM DRU tolerances
allow the overall offset portion of the objective function to be scaled
differently to the error portion, thus enabling preference of fitting for
either offsets or parameters. When parameter fitting only, the scaling is
only relevant to the output blocks where it is used to scale the absolute
error to a relative error.
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ESTIM DRU Overview
5-23
The offset value indicates the absolute offset to be applied to the

measure values; this can be a fixed, known amount, or an offset
calculated by the fitting algorithm. The exact use is determined by the
set-up flags in the data block. For offset fitting, there are no minimum
and maximum limits since the optimizer is attempting to minimize the
value of the offsets, and thus be driving them to zero.
The error property stores the calculated error between the fitted model
data and the actual measured data, for a given data set. The sigma
property is an estimate of the true asymptotic standard deviations of the
measured value from the plant. The estimate is updated at each run of
the ESTIM DRU in such a way it causes it to asymptotically approach the
correct value for the instrument. The update takes account of the
current value of sigma, and weighting which takes into account the
previous estimate. The initial value of sigma selected is typically large
(~1000), to provide a good initial fit. Sigma is only calculated for output
data blocks (Output Tags).
The value of sigma is used to calculate the goodness of fit; the scaled
error between model calculated value and the measured value is divided
by the sigma value to determine the effect of the data block in the overall
x2 fit calculations. The smaller the value, the smaller the error allowed to
maintain a good fit. Where the sigma is not reset on each run, the closer
the measured value is to the model value, the smaller the calculated
sigma is for use in the cumulative sigma update. As this is calculated
cumulatively, it tends to its natural sigma value. It should be noted that
the sigma value is only used for the goodness of fit calculations, and
plays no part in the actual fitting optimization.
The next_value property is the value most recently assigned to the given
tag (i.e., as if it were read in from a DCS system).
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5-24
The remaining properties have no unit dependency on the connection:

Count The number of measured value updates to the DCS Tag
since the last estimation run.
Totcount The total number of measured value updates.
Calc_bias Used to tell the algorithm that the data block is to be
included in the offset fitting set, and thus the offset is adjusted to
attempt to minimize the measured/model error. If the data-block is
set to calculate offsets, then it is also included in the bad data
elimination algorithm.
Over_data Not currently used in the ESTIM DRU.
Next_good Stores whether the next value (obtained from the use
in the offline case, or from a DCS system in the on-line case) is
considered good or bad data.
Input Indicates if the variable is an input to the model or not.
Use_bias Set by the user if you want to use the current biases
during model runs, not the updated ones, if they are calculated. The
flag tells the algorithm that a fixed, known offset is to be applied to
each set of measured data for use in the generation of measure/
model error. In this case, the offset value is not calculated, and the
data block is not included for elimination in the bad data elimination
algorithm.
Fill Reserved for future use.
Eliminated Returned as a result from the bad data elimination
algorithm to indicate that the data set is deemed bad. In this case,
the offset is removed from the objective function and allowed to
float. The resultant model calculated value is then available from
the myvarval field. The flag can also be used during normal offset
fitting to determine a model calculated value without restricting the
offset in the normal optimization objective function.
Curval, and curerror Indicates the current value and error of the
object in the calculation.
5-24
ESTIM DRU Overview
5-25
5.8.3 Transfer Tab

Figure 5.10
The Transfer tab lists the Transfer flags of an optimization object. These
flag properties are not used in the offline situation.
5.9 General Notes

If the ESTIM DRU model has a Run After N value set, it only runs every
N-th time, allowing the data blocks to build up the historical data for the
actual fitting calculations. This allows the historical data to be stored
before the fitting calculations are performed.
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ESTIM DRU Diagnostic File Output
Setting up the Bad Data Elimination Problem (GROSS

ERROR DETECTION)
The bad data elimination problem is set up and calculated using the
Data Reconciliation Utility screen. Bad data elimination is specified by
selecting the Gross Error Detection:Perform Calculations flag. This
selection assumes that the ESTIM DRU is configured with the offset data
blocks that correspond to the measurements that are available for
elimination.
The Mode indicates whether Full fitting is performed, or if a Shortcut
(single) data set is used. The single data set mode uses the first good set,
and does not fit parameters defined in the ESTIM DRU Parameter Fit
tab. The purpose of this mode is to provide a quick method of
determining bad data within a single set based on the associated model.
After the ESTIM DRU is run with these settings, the results are displayed
on the Estim Results tab of the Data Reconciliation Utility screen. No. of
Eliminations and Max Eliminations show how many data blocks are
eliminated in the given problem, and show how many accepted
eliminations are allowed before the fitting cannot be exercised further.
The confidence is similar to that for the standard fitting, in that it is used
to calculate the Maximum x2 to determine whether a good fit was
achieved. The Fit Error (Total) is compared to the maximum tolerance
to give the Goodness of Fit flag. The tolerance figure is based on a x2
distribution for the offsets only, expecting a good fit to have small offsets
close to zero value.
The fitting calculation is always performed when the elimination model
is run.
5.10 ESTIM DRU Diagnostic File Output

The following section details the diagnostics available from ESTIM DRU
and the associated optimization routine.
There are three sections produced in the diagnostic output from an
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ESTIM DRU Overview
5-27
ESTIM DRU run. These sections are covered separately. In addition,

several levels of output are available, based on the level selected within
the ESTIM DRU. The descriptions below deal with diagnostics produced
when the Downpour diagnostic option is selected. All output produced
is generated by the optimization routines; MDC Technology Ltd. do not
currently supply additional output from the ESTIM DRU routine.
The name of the diagnostic file produced by the ESTIM DRU is of the
form <ESTIM DRU name> .txt, where <ESTIM DRU name> is the name
of your ESTIM DRU object in HYSYS.
5.10.1 Initial Problem Parameters

The first section of output produced by the optimization routine details
the input parameters for the particular problem to be solved. These are
either supplied as a result of the problem, or are defaults used by the
algorithm. Since the application of the optimizer to the ESTIM DRU task
is an unconstrained problem, several of the parameters and variables
produced as part of the output are not relevant to the task and should be
ignored.
Linear constraints The number of linear constraints in the
problem. This is not applicable for ESTIM DRU.
Linear feasibility The maximum acceptable violation of linear
constraints at a feasible point. This is not applicable for ESTIM DRU.
Variables The number of variables (parameters or offsets) to be
optimized (fitted) in the current problem.
Crash tolerance This is used when COLD start is selected.
Variables within this tolerance of their bounds are selected for the
initial working set of the problem.
Infinite bound size Any bound greater/less than this number is
considered +/- .
COLD start Specifies the initial working set for the problem. This
is selected from the initial value of the variables, including variables
at, near, or just violating their bounds.
Infinite step size The magnitude of a change in the variables that
would indicate an unbounded problem (the objective is said to be
unbounded in the feasible region). Since ESTIM DRU variables are
all bounded between -1 and +1, this parameter is not relevant to an
ESTIM DRU task.
EPS (machine precision) The machine precision, used to
determine the default values for several other parameters.
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Step limit The maximum change in a variable on the first step of

the linesearch. This prevents overflow situations from occurring.
Nonlinear constraints The number of non-linear constraints. This
is not applicable for ESTIM DRU problems.
Nonlinear feasibility The maximum acceptable violation of nonlinear constraints at a feasible point. This is not applicable for ESTIM
DRU problems.
Nonlinear objective vars Number of (non-linear) variables used
to minimize the objective function.
Optimality tolerance The accuracy of the final iterate to
approximate a solution to the problem, i.e. a solution is deemed valid
if the relative change in the objective function is less than this
tolerance. In effect, this value indicates the number of correct figures
required in the objective function at solution (i.e. if the tolerance is
10-6 and the optimization terminated successfully, approximately the
first six figures of the objective function are correct. This is an
indication of the "tightness" of the problem solution.
Nonlinear Jacobian vars The number of variables used to
evaluate the Jacobian matrix of the problem.
Linesearch tolerance The accuracy of the step taken during each
iteration to approximate a minimum of the merit function along the
search direction. This determines how far along the search path the
next point is to be taken.
Derivative level This indicates how many of the objective (and
constraint) gradients are supplied to the algorithm. ESTIM DRU
uses the algorithm with a level of 0, which indicates that all gradients
are not supplied, and have to be calculated using difference
approximations.
Function precision The accuracy with which functions are
assumed to be evaluated.
Verify level A value of zero indicates that the optimization routine
performs a 'cheap' finite-difference test on the objective gradient
components of the problem. This is not applicable for ESTIM DRU
(where no gradients are supplied).
Major iterations limit The maximum number of major iterations
performed before the problem is terminated (unsuccessfully).
Major print level Determines the output level on each major
iteration.
Minor iterations limit The maximum number of iterations used to
calculate the optimality of the QP subproblem.
Minor print level Determines the output level on each minor
iteration.
Difference interval The interval used in the forward difference
approximation for the objective gradients in the Jacobian matrix.
Central difference interval The interval used in the central
difference approximation for the objective gradients in the Jacobian
matrix. Central difference approximations are used if the forward
difference approximations are found to be not accurate enough.
5-28
ESTIM DRU Overview
5-29
JTJ initial Hessian Controls the initial value of the upper triangular
matrix R (the estimate of the transformed and re-ordered Hessian of
the Lagrangian). J is the objective Jacobian matrix.
Reset frequency The number of major iterations after which the
Hessian is reset to JTJ.
In addition to the above parameters, the work arrays are checked for
suitable sizing, and a summary of the Jacobian element estimations is
given.
5.10.2 Iteration Output

On each major iteration, output is generated to detail the progress of the
optimization algorithm in minimizing the ESTIM DRU function. The
output for each iteration is given under the iteration header, Major
iteration n. The following list details the tabulated output produced; the
heading is only produced for the first iteration.
Itn The major iteration count.
ItQP. The sum of the iterations required by the feasibility and
optimality phases of the QP problem (which generates the optimal
step direction and length). Large values indicate difficulty in finding a
new optimal point.
Step The step, , taken along the computed search path. On a
reasonably behaved problem, this tends to unity.
Nfun The cumulative number of subfunctions needed for the
linesearch (excluding finite difference calculations). This provides a
guide on the amount of work performed in the linesearch.
Objective This is the value of the objective function, which should
decrease monotonically as the optimization progresses. This should
not be confused with the objective function calculated upon
termination of the ESTIM DRU task. This value is also repeated after
the table (with more significant figures).
Bnd The number of simple bound constraints in the predicted
active set. This is not applicable for the ESTIM DRU task, and is
always zero (after the first iteration).
Lin The number of linear constraints in the predicted active set.
This is not applicable for the ESTIM DRU task, and is always zero.
Nz The number of variables less the number of constraints in the
predicted active set. For an ESTIM DRU task this is always the
number of parameters or offsets being fitted.
Norm Gf The Euclidean norm of the gradients of the objective
function with respect to the free (unbounded) variables.
Norm Gz The Euclidean norm of the projected gradient. This is
approximately zero near the solution.
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5-30
Cond H The lower bound on the condition number of the Hessian

approximation, H.
Cond Hz The lower bound on the condition number of the
projected Hessian approximation, Hz. The larger this number is, the
more difficult the problem is to minimize.
Cond T The lower bound on the condition number of the matrix of
predicted active constraints. This is not relevant to the ESTIM DRU
application.
Conv This is a three letter indication of the convergence test
status. The letters indicate True or False. The letters detail the
following points, in order:
sequence of iterates has converged
projected gradient (Norm Gz) is sufficiently small
constraint residual norm in the active set (Norm C) is sufficiently
small (this is always true in the ESTIM DRU application)
The following letters may display at the end of an output line:

Letter
Description
Indicates the use of central difference approximation in the gradient

evaluations.
Indicates that the linesearch produced a change in a variable greater than

specified by STEP LIMIT.
Indicates that refactorization of the approximated Hessian is performed.
For each major iteration, a section is produced detailing the "Values of

the constraints and their predicted status". The variables are listed in
order, giving the value of the scaled variable (which is scaled internal to
the optimization routine between -1 and +1), and its predicted status.
For instance, if a parameter is allowed to vary in the model between 0
and 100, and lies at the model value of 25, the scaled value internal to
the optimization routine would be -0.5. The predicted status is a binary
number, zero indicating the variable is free, and one indicating the
variable is at one of its bounds.
Also produced are the diagonals of R, which are the triangulation factors
of the transformed and re-ordered Hessian.
5-30
ESTIM DRU Overview
5-31
5.10.3 Final Output

Upon termination of the optimization algorithm, whether successful or
not, the final output is produced. The number of subfunction calls made
by the optimization routine differs from that made by the ESTIM DRU
task, since ESTIM DRU evaluates the subfunction outside of the
optimization routine as part of its solution. The following details are
written as final output from the optimization algorithm.
INFORM This details the status of the algorithm solution. Zero
indicates successful solution.
MAJITS The number of major iterations performed.
NFUN The total number of function evaluations performed during
the optimization (excluding those needed for gradient estimations).
NGRAD The number of function evaluations performed for
gradient estimations.
Varbl The name (V) and the index of the variable.
Value The scaled value of variable V.
State The status of the variable. FR indicates the variable is
unbounded, LL indicates the variable is bounded at its lower limit,
and UL indicates the variable is bounded at its upper limit.
Lower Bound this is the value of the lower bound for the variable
within the optimization routine. For ESTIM DRU tasks this is always 1.
Upper Bound This is the value of the upper bound for the variable
within the optimization routine. For ESTIM DRU tasks this is always
+1.
Lagr Mult This gives the Lagrangian multiplier of the variable, if
the variable is bounded. The value is zero for a free variable, positive
for a variable at its lower limit, and negative for a variable at its upper
limit.
Residual This is the difference between the variable and its
NEAREST bound.
The optimization routine termination code is printed and the final value
of the (internal) objective function is displayed as the last output (this is
not the same as displayed by ESTIM DRU, since the optimization value
is internally scaled).
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5-32
6-1
6 Data Reconciliation Utility

6.1 Heat Exchanger Network Data Reconciliation ..............................3
6.1.1 Installing/Viewing the DRU .......................................................5
6-1
6-2
6-2
6-3
6.1 Heat Exchanger Network Data

Reconciliation
DCS Tags Variables for which you have a set of measurements,
used to calculate offsets in the measurements, and update fitting
parameters. These can be either specified or calculated variables.
Fitting Parameters Variables whose value is to be directly
variables.
essentially a data holder (i.e., it allows for multiple sets of stream data
each corresponding to a different data set), to be supplied by the user.
These values are taken as supplied, no offsetting is calculated for these
streams.
The following section lists the properties which are found with each
optimization object type.
Name The display name of the property.
Type This can be either input (required user input), output
(calculated value by the solver), internal (a value which is being
used by the solver in its solution), or RTO (appropriate only for real
time applications).
Data Type This is either a double, an integer, a Boolean, or text.
6-3
6-4
Heat Exchanger Network Data
Fitting Parameter
Name
Type
Data Type
Description
Minimum
Input
Double
The bound on the parameter
Maximum
Input
Double
The upper bound on the parameter
Fit
Input
Boolean
Determines whether to include the

parameter in the current run
Start Value
Input
Double
The desired starting value for the

parameter
Evaluate
Output
Double
What is currently being sent from

Estim for evaluation
Result Value
Output
Double
The final answer
Name
Type
Data Type
Description
Scale
Input
Double
The lower bound on the constraint
Offset
Input
Double
The offset to be applied to the

measured value
Total Error
Output
Double
The calculated total error for the tag
Calculate Bias
Input
Boolean
Whether Estim is to calculate a bias

for the tag
Use Bias
Input
Double
Whether Estim is to use the current

bias in calculations
Percent
Output
Double
Percentage of the offset value with

respect to the scaled value
Input
Input
Double
A flag indicating if the tag is an input

(specified flowsheet variable)
Eliminated
Output
Boolean
Whether Estim has eliminated the tag

from the problem
Evaluated
Value
Internal
Double
The measured value which is

currently being used
Current Error
Internal
Double
The error for the current measured

value
Next Value
RTO
Boolean
The value that is transferred from the

Plant
Count
RTO
Double
The current count (number of data

points)
Total Count
RTO
Double
The total number of data points
Over Data
RTO
Double
Logical, when TRUE, turns off an

instrument, ignoring the data linked
to that particular instrument in the
dataset
DCS Tag
6-4
Name
Type
Data Type
Description
Next Good
RTO
Double
A flag indicating if the Next Value is

good
Limit
RTO
Double
Biasing limit, a positive number.

When bias is used as the optimizer
variable, it is restricted to a range
[current_bias-limit,
current_bias+limit], usually with
current_bias=0. If limit is set to zero,
the range is assumed to be
unbounded.
6-5
6.1.1 Installing/Viewing the DRU

A simple heat exchanger network is used to illustrate the installation and
configuration of a Data Reconcilation problem:
Figure 6.1
6-5
6-6

Open the hen.hsc sample case found in the HYSYS.RTO Cases folder.
You can view the PFD by clicking the PFD icon in the Tool Bar.
PFD icon
To install a DRU:
1.
Open the Tools menu and select Utilities.
2.
Click on Data Recon Utility in the list on the right.
3.
Click the Add Utility button.
In the case that youve opened, hen.hsc, a DRU is already installed, so

view that DRU. In the list on the left, click Data Recon Utility-1 and then
click the View Utility button.
The Data Reconciliation Utility property view displays as shown in the
figure below.
Figure 6.2
6-6
6-7
There are five tabs in this property view:

Tab
Description
Configuration
Define the problem type (parameter fit, data offsetting or

both) and set the remaining solution options.
Results
Updated results of the progress and final solution of the

data reconcilation, as well as additional configuration
information (number of input tags, output tags, etc.).
Stream Initialisation
Create the DRU Streams and configure them (if

necessary).
Parameter Fit
Provides access to, and installation of, Fitting Parameter

optimization objects associated with the operation(s) and
streams being considered.
DCS Tages
Provides access to and installation of DCS tag objects

associated with the operation(s) and streams being
considered.
Selection of Unit Operation(s)

The first step in the implementation of the Data Reconciliation Utility is
the selection of the unit operations to be considered (click the Target
Object button). This produces the Target Objects view as shown in the
figure below:
Figure 6.3
This view displays all of the unit operations currently attached to the
Utility. You can either Add or Remove unit operations from the utilities
collection.
6-7
6-8
The Object Filter group found at the bottom left of the view provides
options for filtering the display of available objects. In addition, the
Flowsheet Wide option is provided to allow the application of the Data
Reconciliation Utility to the entire flowsheet. For this example, this is the
correct choice.
When you have moved the desired items into the right column
(highlight them in the Available Objects list and then press the right
arrow button), click the Accept List button . The appropriate
optimization objects (DCSTags, DRUStreams and Fitting Parameters
which are attached to these operations and their associated streams are
collected from the simulation case.
Figure 6.4
The Stream Initialization tab lets you acccess (and create if desired) the
DRU Streams (Data Reconciliation Utility Streams) which are used to
hold multiple sets of Feed, Product or Internal Stream data for a Data
Reconciliation Utility.
There are a number of features associated with the DRUs (such as
converting data for a new Component Basis in an associated stream,
inserting and removing data sets , etc).
6-8
6-9
For this problem however, the composition of the Feeds and Products
remains fixed and Tags are used to modify any of the stream data for the
problem.
If a "Specific Stream" is selected, it allows an Internal stream (one that is
connected to two unit operations in the collection) to be created. This
can be used to store internal stream data from the results of the data
reconciliation (a copy of the stream data is saved for each data set).
By default, all of the DRUs have their Multiple flag set to True. This
needs to be turned "off" for Inlet DRUs.
The figure below illustrates the option of selecting a new stream basis
for the flowsheet stream, which results in any of the supplied data (if
desired) being converted to the new basis.
Figure 6.5
There are three options when a new basis is selected for the streams
compositional basis. You can set all supplied values to unknown,
convert the previously supplied value to the new basis, or retain the
values as supplied and have them interpreted in the new basis.
6-9
6-10
The next step is the installation of the fitting parameters. Go to the

Parameter Fit tab.
Figure 6.6
The Fit Parameters in the table on this tab are selected through the Add
button beside the Fit Parameter drop-down list. When you click the Add
button, the Select Optimization Variable view is displayed.
6-10
6-11
The first Fit Parameter that was selected for the DRU was the E-100
object, Spec Value variable and the UA variable specifics as shown in the
figure below.
Figure 6.7
6-11
6-12
Selection of Tags
Move to the DCS Tags tab in the Data Reconciliation Utiltiy property
view.
Figure 6.8
The Input DCS Tags in the Tag Filter group on this tab are selected
using the Add button beside the DCS Tags drop down menu. When you
click the Add button, the Select Optimization Variable view is displayed.
6-12
6-13
The first Input DCS Tag that was selected for the DRU was selected as
shown in the figure below.
Figure 6.9
The tag is automatically placed in the Tag Filter list as the variable
(Stream 2 Flow) is specified in the flowsheet.
The Output DCS Tags were added as shown below.
Figure 6.10
6-13
6-14
If you return to the Configuration tab of the Utility and specify the
minimum number of data sets to be four, the appropriate number of
data sets are created for each tag and DRU Stream.
Return to the DCS Tags tab and in the Tag Filter group, click the All radio
button and the Parameters radio button. The configuration data was
supplied for each of the Input and Output tabs as described in the
following table:
6-14
Tag
Offset
Limit
Scale
Sigma
Calc Bias
Use Bias
2 Flow
1000
False
False
3 Flow
1000
False
False
59 Flow
1000
False
False
30 Flow
1000
False
False
14 Flow
1000
False
False
1 Flow
1000
False
False
61 T
1000
False
False
4T
1000
False
False
5T
1000
False
False
7T
1000
False
False
8T
1000
False
False
6-15
The DCS Tags tab is displayed as follows:

Figure 6.11
Select the Measured Data radio button and view the data:
Tag
Data Set 1
Data Set 2
Data Set 3
Data Set 4
2 Flow (lbmole/hr)
900
1000
1100
1200
3 Flow (lbmol/hr)
1450
1550
1650
1750
59 Flow (lbmol/hr)
600
550
500
450
30 Flow (lbmol/hr)
1500
1600
1700
1800
14 Flow (lbmol/hr)
1350
1450
1550
1650
1 Flow (lbmol/hr)
2350
2550
2750
2950
61 T (F)
-33.25
-33.16
-33.06
-32.96
4 T (F)
-24.48
-23.01
-21.59
-20.24
5 T (F)
-59.96
-56.64
-53.63
-50.88
7 T (F)
-37.89
-37.12
-36.34
-35.57
8 T (F)
-44.85
-43.85
-42.80
-41.76
6-15
6-16
Figure 6.12
6-16
Derivative Utility & Optimizer
7-1
7 Derivative Utility &

Optimizer
7.1 The Derivative Utility .......................................................................3
7.1.2 Required Input for Variables .....................................................8
7.1.3 Required Input for Constraints................................................10
7.1.4 Objective Function Variables ..................................................11
7.2 Optimizer ........................................................................................12
7.2.1 Running the Optimization .......................................................13
7-1
7-2
7-2
7-3
7.1 The Derivative Utility

To further illustrate how to use HYSYS.RTO to solve optimization
problems, the following process is used. This example models the
distillation of a crude tower. The Optimizer is used to determine the
optimum steam feed rates.
Figure 7.1
7.1.1 Installing/Viewing the Derivative Utility

Open the R-13opt.dox.hsc case found in the HYSYS.RTO Cases folder.
View the PFD by clicking the PFD icon in the Tool Bar.
PFD icon
To install a Derivative Utility:

1.
Open the Tools menu and select Utilities.
2.
Click Derivative Utility in the list box on the right and click on the
Add Utility button. In the case, R-13opt.dox.hsc, a Derivative Utility
is already installed, so you are viewing that utility.
7-3
7-4
The Derivative Utility
3.
In the list box on the left, click on Utility-1 and then click on the
View Utility button. The Derivative Utility property view displays as
shown below:
Figure 7.2
Selection of Unit Operation(s)

The first step in the implementation of the Derivative Utility is the
selection of the unit operations to be considered (click the Operations
button). The following view is displayed:
Figure 7.3
7-4
7-5
There are three modes for the derivative utility and they are as follows:
Flowsheet Wide Use when minimal flowsheet tearing is to be
employed, and no special derivative and solution mechanisms (such
as extension operations) are to be used. In this mode, a single
derivative utility is used for the entire flowsheet.
Specific Unit Operation Typically, this is a sub-flowsheet that is
torn on both the feeds and products. The sub-flowsheet typically
contains several unit operations that are solved either using the
HYSYS standard solver, or one of the column solvers.
Extension Operation Used when the sub-flowsheet contains an
extension operation that is solved using the available OLE functions
to allow the solver to solve the model equations as part of the
optimization problem.
It is best to select the desired unit operation prior to installing any of the
remaining optimization objects. You should attach all existing
optimization objects to the Derivative Utility, and this is how the correct
mode is selected.
For this example, a Specific Unit Operation (T-100) is selected for the
derivative utility. Use this mode to optimize variables pertaining to the
T-100 unit operation.
Figure 7.4
7-5
7-6
Installing Optimization Variables from the Utility

Optimization objects appropriate for the utility (in the case of the
Derivative Utility - Optimization Variables, Constraints and Objective
function variables) can be added directly from the view. In the
Derivative Utility Configuration group, there is a drop-down menu on
the right side of the group. The drop-down list contains three options:
Propcons
OptVars
ObjFunc
Figure 7.5
By selecting the appropriate option (OptVar in this case) and clicking

the Add button to the left of the drop-down list, the selection view is
displayed.
Figure 7.6
By making the selection as shown, the Optimization Variable is created

and is added into the utility. By default, the new object is given the next
available name. However, you can edit the name of the object directly
from the utility view by highlighting the name in the Object Name
column and typing a new string.
7-6
7-7
When optimization objects are created for the model, they are displayed
in a WorkSheet format as shown below.
Figure 7.7
The Object Name column lets you modify the name of the created
variables. In addition, the Attached Object and Attached Property are
also displayed in the view, as well as the variables current value. The
start value is updated at the start of an optimization run. There are
several other properties also displayed in this view.
The Independent Properties radio buttons filter the overall list of
variables to those of the specific types described previously. In addition,
the Master and Runtime lists toggle the display between all objects and
those being considered for the current evaluation.
The properties can be filtered into the following:
All All properties

Input Properties requiring user input
Output Calculated and outputted values
Results Solution results
7-7
7-8
7.1.2 Required Input for Variables

The only required input for optimization variables are:
Optimize Flag
Minimum
Maximum
Range (optional)
Global Minimum
Global Maximum
The latter are appropriate only for real time applications and can be set
at the same values as the minimum and maximum.
The Optimize flag works in conjunction with Run Time and Master lists.
When the optimization problem is being set up, this flag is evaluated for
each variable. If the flag is false, then the variable is not exposed to the
Optimizer and the value remains at its starting value for the length of the
solution. With this, you can switch problems easily by turning variables
and constraints on and off.
The value for the variable Range is used for the calculation of a
perturbation, range x perturbation factor. If none is provided, the span
(maximum - minimum) is used for the calculations.
All required input for the variables can be done through the Utility view,
which provides access to unit conversion capabilities.
7-8
7-9
The following tab shows all inputs of optimization variables:

Figure 7.8
Constraints (ProcCons) and Objective Function (ObjFunc) objects can

similarly be added from the view by selecting the appropriate option in
the drop-down list next to the Add Button.
7-9
7-10
7.1.3 Required Input for Constraints

The required inputs for Constraints are as follows:
Use Flag
Minimum
Maximum
Scale
All constraints are treated by the Optimizer as ranged constraints, i.e.,

the value of the constraint should lie between the minimum and
maximum at solution, within the prescribed Scale tolerance. The scale
can be considered as an approach, the boundary around the minimum
and maximum values that define whether the constraint is active, or
violated. This information is reported during and after the solution as
the status of the constraint.
The following tab shows input of constraints. To view this tab, click the
Constraints/Objective Function tab and select the Proc. Constraints
radio button in the Dependant Properties group, as shown in the figure
below:
Figure 7.9
7-10
7-11
7.1.4 Objective Function Variables

Objective function variables are installed individually, which facilitates
the calculation of the gradient during the course of Jacobian
evaluations.
Alternatively, an Objective Function can be built in a spreadsheet
operation, with a single cell representing the results, and having a single
objective function object attached to this result cell.
The Prices of the objective

function objects are based on
Field Units.
For this problem, individual objective function objects are installed as

shown below. To view this screen, change the Dependant Properties
radio button to Obj. Functions.
Figure 7.10
At this point, all required input (for the various objects)is provided, and
the Optimizer can be invoked.
7-11
7-12
Optimizer
7.2 Optimizer
The Optimizer interface is used to collect all of the derivative utilities
within the current simulation case and provide them to the Optimizer.
The Optimizer is invoked by pressing F5 or, open the Simulation menu
and select Optimizer.
To access the configuration options for the Optimizer, first select the
Optimization radio button at the bottom of the view. This provides
access to the Optim Configuration tab, as shown below.
Figure 7.11
In addition, the Optimizer Control drop-down list at the bottom of the

view provides the mechanism to Start, Stop, Restart, and control the
solving mode of the Optimizer.
7-12
7-13
The Configuration group in the upper left corner of the view contains a
collection of radio buttons that control the information and input
options that are displayed:
SetUp Selection of the optimization scheme, print levels, as well
displaying the running results
Tolerances Specification of Optimizer settings and solution
tolerances
Flags Access to a number of flag settings that control the solution
mechanism
7.2.1 Running the Optimization

After all the information is configured, the model can be run. To run the
model, select Start on the Optimizer Control view, using the drop-down
list. Scroll though the list to find this option.
Figure 7.12
While the model is running, you can move through HYSYS, but dont
change any of the values.
7-13
7-14
Optimizer
To examine the results on the variables and constraints, use the

Derivative Utility. This screen is accessed through the Derivative Utility
group in the Optimizer view.
Figure 7.13
7-14
7-15
Figure 7.14
Examining the Process Constraints/Results combination, the

constraints are sorted to show those which are violated, followed by
those which are active, followed by those which are inactive.
For more information, look at the information displayed when the Obj.
Functions radio button is selected. This displays the cost/profit of each
item.
7-15
7-16
7-16
Optimizer
HYSYS.RTO+ Example
A-1
A HYSYS.RTO+ Example
A-1
A-2
A-2
HYSYS.RTO+ Example
A-3
A.1 Data Reconciliation Example

In this example, HYSYS.RTO+ is used to do both data reconciliation and
parameter fitting. The main flowsheet of this example is shown below.
Figure A.1
The sub-flowsheet GT-1 is shown as follows:

Figure A.2
For the above process, you are going to reconcile measured data of mass
flows of inlet streams Fuel, Dils, BFW1 and BFW2, as well as measured
data of temperatures of outlet streams GT1 STM1, GT1 STM2 and Strm
A-3
A-4
Data Reconciliation Example
5T, and mass flow of outlet stream GT1 Stackage. You are also going to
do parameter fitting of UA of heat exchanger E-100 and E-101.
DCS Tags variables for which the user has a set of
measurements, and are used to calculate offsets in the
measurements, and update fitting parameters. These can be either
specified or calculated variables.
Fitting Parameters variables whose value is to be directly
variables.
essentially a data holder, i.e., it allows for multiple sets of stream data,
each corresponding to a different data set, to be supplied by the user.
These values are taken as supplied, no offsetting is calculated for these
streams.
A-4
HYSYS.RTO+ Example
A-5
A.2 Install Data Reconciliation Utility

Install the data reconcilation utility in the same manner as for the
Derivative Utility (Tools -> Utilities or <Crtl><U>). The Data
Reconciliation Property view is shown below:
Figure A.3
There are five pages and they are described in the following table:
Page
Description
Configuration
Define the problem type (parameter fit, data offsetting or both)

and set the reamining solution options.
Results
Updated results of the progress and final solution of the data

reconcilation, as well as additional configuration information
(number of input tags, output tags, etc.)
Stream Initialization
Create the DRU Streams and configure them (if necessary)
Parameter Fit
Provides access to, and installation of, Fitting Parameter

optimization objects associated with the operation(s) and
streams being considered.
DCS Tag
Provides access to and installation of DCS tag objects

associated with the operation(s) and streams being
considered.
A-5
A-6
Install Data Reconciliation Utility
A.2.1 Selection of Unit Operation(s)

The first step is to select the unit operations to be considered (press the
Target Objects button, located in the top of the Configuration view). This
produces the view shown below.
Figure A.4
The first step is to select the unit operations to be considered (press the
Target Objects button, located in the top of the Configuration view). This
produces the view shown below.
This view displays all of the unit operations currently attached to the
Utility. You can either add or remove unit operations from the utilitys
collection.
When you press Accept List button, all of the appropriate optimization
objects (DCSTags and Fitting Parameters) which are attached to these
operations and their associated streams are collected from the
simulation case. DRU streams are automatically created for inlet, outlet,
and energy streams. Internal streams have to be added manually.
A-6
HYSYS.RTO+ Example
A-7
DCS Tags used for this example are listed in the following table.
Input Tag Name
Variable
Output Tag Name
Variable
Fuel
Mass Flow of GT1

Fuel
TSTM1
Temperature of
GT1 STM1
Dils
Mass Flow of GT1

Dil. Steam
TSTM2
Temperature of
GT1 STM2
BFW1
Mass Flow of GT1

BFW1
MassStackgas
Mass Flow of
GT1Stackgas
BFW2
Mass Flow of GT1

BFW2
Strm 5T
Temperature of 5
Optimization objects (Fitting Parameters and DCS Tags) can be created

as shown in the above example. The following views show some settings
for DRU streams, fitting parameters and DCS Tags.
1.
DataRecon Utility - Stream Initialization Make sure that the data

in your Stream Initialization view is similar to what is shown here. To
A-7
A-8
view this data, the Inlet and Set Up radio buttons must be selected.
Figure A.5
A-8
HYSYS.RTO+ Example
A-9
Figure A.6
A-9
A-10
Figure A.7
The DRU stream contains multiple data sets of stream information

associated with each of the measured data sets, but the information is
not used for reconciliation. The values supplied are applied to the
streams as each data set is evaluated.
A-10
HYSYS.RTO+ Example
2.
A-11
DataRecon Utility - Parameter Fitting Examine the Parameters Fit

page.
Figure A.8
If a parameter needs to be fitted, its check box "Fit" should be checked.

3.
DataRecon Utility - DCS Tags
Each of the tags (flowsheet variables for which there is measured data)
is associated with a DCS Tag optimization object. When the
optimization object is created and attached, the Data Recon Utility
A-11
A-12
displays appropriate information about the actual flowsheet variable.

Figure A.9
Information about the tags and how they are to be treated for the
problem, can be set by selecting the parameters radio button. The key
parameters are:
Calc Bias and Use Bias - whether a bias (offset) is to be calculated for the
tag during the solution, or whether the supplied offset is to be used
directly (Use Bias).
The Scale parameter is available so the user can apply scaling to the
calculated error. In general, all tags should have a similar scaled error,
however, there are situations, as described previously, where the user
may want to apply different scalings to the tags.
A-12
HYSYS.RTO+ Example
A-13
For a first evaluation of the model, using the unity scale is sufficient.
Figure A.10
Once the number of data sets to be used is set, the measured data radio
button can be selected. This provides access to the following view which
A-13
A-14
allows the supply of data.

Figure A.11
A-14
HYSYS.RTO+ Example
A-15
Similar information should be supplied for the outlet tags.

Figure A.12
A-15
A-16
Figure A.13
To run data reconciliation and parameter estimation, use the Optimizer.

By selecting the DataRecon radio button, the following view is shown.
The Estim Configuration and Estim Results pages are identical to pages
A-16
HYSYS.RTO+ Example
A-17
of Configuration and Results of data reconciliation utility.

Figure A.14
By selecting Start from the drop-down list of Estim Control, the

Optimizer runs the data reconciliation utility. The results are given in
A-17
A-18
the following pages.

Figure A.15
A-18
HYSYS.RTO+ Example
A-19
Figure A.16
A-19
A-20
A-20
Index
B
Bnd
See also ESTIM DRU
iteration output
C
Central difference interval
See also ESTIM DRU
initial problem parameters
COLD start
See also ESTIM DRU
Collection Utilities 2-6
constraints/objective function 2-10
creating 2-9
data reconciliation 2-6
derivative 2-6
derivative analysis 2-10
independent variables 2-10
structural non-zeroes 2-10
Cond H
See also ESTIM DRU
iteration output
Cond Hz
See also ESTIM DRU
iteration output
Cond T
See also ESTIM DRU
iteration output
Conv
See also ESTIM DRU
iteration output
Crash tolerance
See also ESTIM DRU
D
Data Recon
heat exchanger 6-3
Data Recon Utility 6-1
DCS tag selection 6-12
DCS Tag terminology 6-4
DCS Tags 6-3
fitting parameter terminology 6-4

fitting parameters 6-3
installing and viewing 6-5
property view 5-10
Configuration tab 5-11
DCS Tags tab 5-18, 6-12
Parameter Fit tab 5-17, 6-10
Results tab 5-14
Stream Initialization tab 5-16, 6-8
selecting unit ops 6-7
stream 6-3
Data Reconciliation
parameter estimation problem 2-7
Data Set Configuration
See also Data Recon Utility
Configuration tab
Derivative Analysis 2-18
Derivative level
See also ESTIM DRU
Derivative Utility 2-11, 4-1
(dependent) constraints calculations 4-14
(dependent) constraints properties 4-9
independent variable calculations 4-8
independent variable properties 4-3
Difference interval
See also ESTIM DRU
DRU Stream
stream
E
EPS (machine precision)
See also ESTIM DRU
Estim Data Set Analysis 5-19
ESTIM DRU
applications 5-4
basic methods 5-7
benefits 5-4
diagnostic file output 5-26
final output 5-31
initial problem parameters 5-27
I-1
I-2
iteration output 5-29

error detection/correction 5-5
facilities 5-5
fitting configuration 5-10
general notes 5-25
gross error detection 5-26
measurement problem 5-6
model updating 5-5
overview 5-1
practical considerations 5-8
solution 5-8
utilities 5-5
utilizing 5-5
Estim Offline 5-9
F
Flowsheet Tearing 2-8
Flowsheet Wide 6-8
Function precision
See also ESTIM DRU
H
HYSYS.RTO+
using the program 2-1
I
Infinite bound size
See also ESTIM DRU
Infinite step size
See also ESTIM DRU
Inform
See also ESTIM DRU
final output
Itn
See also ESTIM DRU
iteration output
ItQP
See also ESTIM DRU
iteration output
J
JJ initial Hessian
See also ESTIM DRU
I-2
L
Lagr Mult
See also ESTIM DRU
final output
Lin
See also ESTIM DRU
iteration output
Linear constraints
See also ESTIM DRU
Linear feasibility
See also ESTIM DRU
Linesearch tolerance
See also ESTIM DRU
Lower Bound
See also ESTIM DRU
final output
M
Majits
See also ESTIM DRU
final output
Major iterations limit
See also ESTIM DRU
Major print level
See also ESTIM DRU
Minor iterations limit
See also ESTIM DRU
Minor print level
See also ESTIM DRU
Model updating 5-9
N
Ngrad
See also ESTIM DRU
final output
Nonlinear constraints
See also ESTIM DRU
Nonlinear feasibility
See also ESTIM DRU
Index
Nonlinear Jacobian vars

See also ESTIM DRU
Nonlinear objective vars
See also ESTIM DRU
Norm Gz
See also ESTIM DRU
iteration output
NormGf
See also ESTIM DRU
iteration output
Nz
See also ESTIM DRU
iteration output
O
Objective
See also ESTIM DRU
iteration output
Optim Configuration
actual optimizer 3-9
algorithm 3-4
base search step 3-16
bind 3-14
code version 3-11
cost 3-14
diagnostic print level 3-6
DV_level 3-8
feasible point iterations 3-10
fix variable spans 3-21
flag inputs 3-19
FPS Hessian diagonal 3-16
function precision 3-12
gradient 3-14
gradient calculations 3-5
gradient evaluations 3-11
include fixed constraints 3-20
include scales 3-21
Jacobian elimination 3-17
linesearch tolerance 3-12
LP options 3-5
major damping parameter 3-17
max. allowed move 3-16
max. constraint relaxations 3-7
max. CPU usage 3-17
max. feasible point 3-6
max. Hessian resets 3-7
max. iteration step 3-15
I-3
max. iterations 3-6

minor damping parameter 3-17
model evaluations 3-11
NAG calculated gradients 3-20
nonlinear row tolerance 3-13
numerical gradients 3-21
objective scale factor 3-17
objective value 3-8
omit tech. constraints 3-19
OPT Hessian diagonal 3-16
optimality tolerance 3-13
penalty parameter 3-18
pert_reset 3-22
perturbation 3-15
recentre 3-20
relaxed violated constraints 3-19
restricted step 3-20
row tolerance 3-13
scaling type 3-18
set up inputs 3-4
sigma 3-12
solution phase 3-10
sparse Jacobian 3-21
start objective 3-11
step 3-13
termination reason 3-8
tolerance inputs 3-12
total CPU time 3-11
verify 3-7
zeta 3-14
Optimality tolerance
See also ESTIM DRU
Optimization
problem 2-8
Optimization Objects 2-5, 5-20
constraints 2-5
DCS Tags 2-5
installation 2-15
objective function variables 2-5
optimization variable 2-5
property view
Connection tab 5-21
Properties tab 5-22
Transfer tab 5-25
types 2-14
Optimizer 3-1
calculations 3-23
I-3
I-4
interface 2-6, 3-3

optim configuration 3-4
results 3-23
P
Parameter Estimation
DCS Tags 6-3
Parameter/Offsets
Results tab
Problem Formulation
Configuration tab
R
Reset frequency
See also ESTIM DRU
Residual
See also ESTIM DRU
final output
S
Simultaneous Modular Optimization 2-4
Solver Parameters and Tolerances
Configuration tab
State
See also ESTIM DRU
final output
Step
See also ESTIM DRU
iteration output
Step limit
See also ESTIM DRU
SubFlowsheet 2-3
implementation in HYSYS.RTO+ 2-4
overview 2-4
U
Upper bound
See also ESTIM DRU
final output
Utilities
Bad Data Elimination 5-5
Data Reconciliation 5-5
I-4
Parameter Estimation 5-5

V
Value
See also ESTIM DRU
final output
Varbl
See also ESTIM DRU
final output
Verify level
See also ESTIM DRU

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2002 Hyprotech Ltd. All rights reserved.

Introducing HYSYS.RTO.............................................. 1-1

Using HYSYS.RTO ....................................................... 2-1

Role of the Sub-Flowsheet ...................................................2-3

Collection Utilities .................................................................2-6

Optimizer Interface ...............................................................2-6

Data Reconciliation/Parameter Estimation Problem .............2-7

Optimization Problem ...........................................................2-8

Creating a Collection Utility...................................................2-9

Optimizer ..................................................................... 3-1

Welcome to HYSYS.RTO .....................................................1-3

Optimizer Interface ...............................................................3-3

Derivative Utility ......................................................... 4-1

HYSYS.RTO Variables - Properties......................................4-3

HYSYS.RTO Constraints - Properties ..................................4-9

ESTIM DRU Overview .................................................. 5-1

The Problem .........................................................................5-3

ESTIM DRU Facilities ...........................................................5-5

Using ESTIM DRU ................................................................5-6

Configuring a Fitting Problem .............................................5-10

Estim Data Set Analysis .....................................................5-19

5.10 ESTIM DRU Diagnostic File Output....................................5-26

Data Reconciliation Utility.......................................... 6-1

Heat Exchanger Network Data Reconciliation ......................6-3

Derivative Utility & Optimizer..................................... 7-1

The Derivative Utility .............................................................7-3

HYSYS.RTO+ Example ................................................A-1

Data Reconciliation Example ............................................... A-3

Install Data Reconciliation Utility.......................................... A-5

1.1 Welcome to HYSYS.RTO

Upon configuration of the flowsheet, Derivative Utilities can be attached

2.1 Role of the Sub-Flowsheet

Role of the Sub-Flowsheet

2.1.1 Simultaneous Modular Optimization

2.1.2 Implementation in HYSYS.RTO

Optimization object types being used

2.2 Optimization Objects

2.3 Collection Utilities

2.4 Optimizer Interface

2.5 Data Reconciliation/Parameter

Build the flowsheet.

Install a Data Reconciliation utility.

Supply appropriate values for the Fitting Parameters.

Supply required values for the Tags.

Supply the measured data.

If necessary, turn on the multiple data set option for attached

2.6 Optimization Problem

Build the flowsheet.

Install a Derivative utility.

Select Flowsheet Wide for the Unit Operation.

Supply appropriate values for the Optimization Variables.

Install Constraints and attach them to appropriate flowsheet

Supply required values for the Constraints.

Install the objective function object(s) and attach them to

Configure the appropriate prices for the objective function objects.

10. Invoke the Optimizer F5 and select Optimization.

2.6.2 Flowsheet Tearing

2.7 Creating a Collection Utility

Utility Property View

Creating a Collection Utility

The tabs of the Derivative Utility are defined as follows:

Assign variable/constraint associations such that a Jacobian

Access the collection of variables (optimization Variables,