A

PRACTICAL REPORT

ON

“Chemical Process Modeling and Simulation”

Submitted By
JAY PATEL

3rd Year, B.Tech., Chemical Engineering.

(Enrolment No – BT15CME034)

Course Co-ordinator

Dr. Piyush P.Wanjari

Department of Chemical Engineering

VNIT, Nagpur.

Lab and Course Co-ordinator

Dr. SHRIRAM S. SONAWANE

Department of Chemical Engineering

VNIT, Nagpur.

Submitted To
Department of Chemical Engineering

Visvesvaraya National Institute of Technology, Nagpur-10

(APRIL – 2018)
 CERTIFICATE

This is to certify that Mr.Jay Patel has successfully completed the practical
work entitled “Chemical Process Modeling and Simulation in Chemical
Engineering” in partial fulfillment of his sixth semester practical course in process
modeling and simulation, carried out under my supervision during the academic
year 2017-18.

___________ ______________________
Jay Patel Dr. Piyush P.Wanjari

3rd year, Chemical Engineering Course Co-ordinator

BT15CME034 and Asst Professor in Chemical Engg.

VNIT Nagpur-10

______________________
Dr. Shriram S. Sonawane

Lab and Course Co-ordinator

and Asst Professor in Chemical Engg.

VNIT Nagpur-10

________________
HOD

Department of Chemical Engineering, VNIT Nagpur

 INDEX

Sr. No. Date Title Signature

1 6/2/18 Gravity Flow Tank
2 13/2/18 CSTR in series (open loop)
3 20/2/18 CSTR in series (closed loop)
4 27/2/18 Non-Isothermal CSTR
5 20/3/18 Complex Reaction Scheme
nd
6 27/3/18 2 Order Complex Reaction Scheme
7 3/4/18 Series-Parallel Reaction
8 3/4/18 Semi-Batch Reactor
 MODEL NO. 1
GRAVITY FLOW TANK
 MODEL 1 – Gravity Flow Tank

AIM:

To develop and simulate mathematical model equation describing the working of a

gravity flow tank

PROBLEM STATEMENT:

Figure shows a tank into which an incompressible (constant density) liquid is pumped at
a variable rate F. Formulate a mathematical model equation to compute flow rate and height of
the liquid in the tank as a function of time.

DIAGRAM:

Gravity Flow Tank

THEORY:

Newton’s second law describes that the force is equal to mass times the acceleration for a
system with constant mass M. This is the basic relationship in writing the equations of motion.
We are assuming plug flow conditions and incompressible liquid. Thus all the liquid is moving at
the same velocity more or less like a solid rod. The amount of liquid in the pipe will not change
with time, but if we want to change the rate of outflow, the velocity of the liquid must be
changed, and to change the velocity or momentum of the liquid we must exert a force push on
the liquid. Hydraulic force pushes the liquid at the left of the pipe. Static pressures in the tank are
same. Frictional forces due to viscosity push in the opposite direction.

MATHEMATICAL EQUATIONS:

Total Continuity Equation:

 𝑑(𝜌𝑉)
= 𝐹0 𝜌 − 𝐹𝜌
𝑑𝑡
𝑉 = 𝐴𝐹 ℎ

𝑑ℎ
𝐴𝐹 = 𝐹0 − 𝐹
𝑑𝑡
Force balance on the outlet:

𝑑𝜌 𝑑(𝑉𝜌)
+ =0
𝑑𝑡 𝑑𝑧
𝑑𝑣 𝑔 𝐾𝑓 𝑔𝑐 2
= ℎ− 𝑣
𝑑𝑡 𝐿 𝜌𝐴𝑓

GIVEN DATA:

1) Pipe: ID = 3 ft, Area = 7.067 ft2

2) Tank: ID = 12 ft, Area = 113 ft2

3) Steady state values: Vs = 3.8 ft/s, hs = 2.05 ft/s

4) Parameters: Reynold’s number = 1380, Friction factor = 0.0123, Kf = 2.81 × 10-2 lbf/(ft/s2).ft

MODEL EQUATIONS:

𝑑ℎ
= 0.311 − 0.0624 × 𝑣
𝑑𝑡
𝑑𝑣
= 0.0107 × ℎ − 0.00205 × 𝑣 2
𝑑𝑡
PROGRAM SYNTAX:

#include<stdio.h>

#include<conio.h>

void main()

float time, delta, tprint, v, h, vdot, hdot;

int i;

time = 0; delta = 20; tprint = 0;

v = 3.8; h = 2.05;

printf(“\nTime\t\tv\t\th”);

for(i=0; i<=11; i++)

vdot = 0.0107*h – 0.00205*v*v;

hdot = 0.311 – 0.0624*v;

printf(“\n%f\t%f\t%f”, time, v, h);

if(time<=tprint)

v = v + vdot*delta;

h = h + hdot*delta;

time = time + delta;

tprint = tprint + 20;

getch();

}
RESULTS:

Time v H
0 3.8 2.05
20 3.64666 3.5276
40 3.856343 5.196568
60 4.358682 6.603852
80 4.992984 7.384217
100 5.551081 7.372973
120 5.865502 6.665224
140 5.881291 5.565077
160 5.654045 4.445226
180 5.294626 3.608978
200 4.917592 3.221285
220 4.615456 3.304131

PLOT:

Velocity/Height vs Time
8

5
Velocity/ Height

4
v vs t
h vs t
3

0
0 50 100 150 200 250
Time
 MODEL NO. 2
CSTR IN SERIES (OPEN LOOP)
 Model 2 – CSTR in Series (Open Loop)

AIM:

To develop and simulate mathematical model equation describing series of three

isothermal CSTR’s (Open Loop)

PROBLEM STATEMENT:

The three CSTR’s in series with open loop system are shown in figure where a first order
liquid phase reaction occurs in each of these reactors. Assuming isothermal system and constant
holdup of CSTR, formulate a mathematical model equation that computes the concentration of
product as a function of time.

DIAGRAM:

CSTR’s in series (Open loop)

THEORY:

In the system of a simple extension of the CSTR product B is produced and reactant A is
consumed in each of the three perfectly mixed reactors by a first order reaction occurring in the
liquid. The temperature and holdups of the three tanks are assumed to be different, but both
temperatures and the liquid volumes are assumed to be constant. Density is assumed constant
throughout the system, which is a binary mixture of A and B.

The reaction taking place is A → B

MATHEMATICAL EQUATIONS:

Total Continuity Equation:

𝑑(𝑉. 𝜌)
=0
𝑑𝑡
𝐹0 = 𝐹1 = 𝐹2 = 𝐹3

Component Continuity Equation:

𝑑(𝐶𝐴1 )
𝑉1 = 𝐹(𝐶𝐴0 − 𝐶𝐴1 ) − 𝑉1 𝑘1 𝐶𝐴1
𝑑𝑡
𝑑(𝐶𝐴2 )
𝑉2 = 𝐹(𝐶𝐴1 − 𝐶𝐴2 ) − 𝑉2 𝑘2 𝐶𝐴2
𝑑𝑡
𝑑(𝐶𝐴3 )
𝑉3 = 𝐹(𝐶𝐴2 − 𝐶𝐴3 ) − 𝑉3 𝑘3 𝐶𝐴3
𝑑𝑡

GIVEN DATA:

CA0 = 1.6

CA1 = 0.85

CA2 = 0.45

CA3 = 0.25

τ=2

k = 0.5

MODEL EQUATIONS:

𝑑(𝐶𝐴1 ) 1
= (𝐶𝐴0 − 𝐶𝐴1 ) − 𝑘𝐶𝐴1
𝑑𝑡 𝜏
𝑑(𝐶𝐴2 ) 1
= (𝐶𝐴1 − 𝐶𝐴2 ) − 𝑘𝐶𝐴2
𝑑𝑡 𝜏
𝑑(𝐶𝐴3 ) 1
= (𝐶𝐴2 − 𝐶𝐴3 ) − 𝑘𝐶𝐴3
𝑑𝑡 𝜏
PROGRAM SYNTAX:

#include<stdio.h>

#include<conio.h>

void main()

float time, delta, tprint, ca0, ca1, ca2, ca3, ca1dot, ca2dot, ca3dot, tau, k;

int i;

time = 0; delta = 0.1; tprint = 0;

ca0 = 1.6; ca1 = 0.85; ca2 = 0.45; ca3 = 0.25;

tau = 2; k = 0.5;

printf(“\nTime\tca1\tca2\tca3\t”);

for(i=0; i<=30; i++)

ca1dot = (ca0-ca1)/tau – k*ca1;

ca2dot = (ca1-ca2)/tau – k*ca2;

ca3dot = (ca2-ca3)/tau – k*ca3;

printf(“\n%f\t%f\t%f\t%f”, time, ca1, ca2, ca3);

if(time<=tprint)

ca1 = ca1 + ca1dot*delta;

ca2 = ca2 + ca2dot*delta;

ca3 = ca3 + ca3dot*delta;

time = time + delta;

tprint = tprint + 1;

getch();}
RESULTS:

time Ca1 Ca2 Ca3

0 0.85 0.45 0.25
0.1 0.845 0.4475 0.2475
0.2 0.8405 0.445 0.245125
0.3 0.83645 0.442525 0.242862
0.4 0.832805 0.440095 0.240702
0.5 0.829524 0.437726 0.238637
0.6 0.826572 0.435429 0.23666
0.7 0.823915 0.433215 0.234765
0.8 0.821523 0.431089 0.232949
0.9 0.819371 0.429057 0.231209
1 0.817434 0.427119 0.229541
1.1 0.815691 0.425279 0.227943
1.2 0.814122 0.423536 0.226412
1.3 0.812709 0.421888 0.224948
1.4 0.811438 0.420335 0.223548
1.5 0.810295 0.418873 0.22221
1.6 0.809265 0.417501 0.220932
1.7 0.808339 0.416214 0.219714
1.8 0.807505 0.415009 0.218553
1.9 0.806754 0.413884 0.217449
2 0.806079 0.412833 0.216398
2.1 0.805471 0.411854 0.2154
2.2 0.804924 0.410942 0.214452
2.3 0.804431 0.410094 0.213554
2.4 0.803988 0.409306 0.212704
2.5 0.803589 0.408575 0.211899
2.6 0.803231 0.407897 0.211137
2.7 0.802907 0.407269 0.210419
2.799999 0.802617 0.406687 0.20974
2.899999 0.802355 0.406149 0.2091
2.999999 0.80212 0.405652 0.208498
PLOT:

Concentration vs Time
0.9

0.8

0.7

0.6
Concentration

0.5
t vs Ca1
0.4 t vs Ca2
t vs Ca3
0.3

0.2

0.1

0
0 0.5 1 1.5 2 2.5 3 3.5
Time
 MODEL NO. 3
CSTR IN SERIES (CLOSED LOOP)
 Model 3 – CSTR in Series (Closed Loop)

AIM:

To develop and simulate mathematical model equation describing series of three

isothermal CSTR’s (Closed Loop)

PROBLEM STATEMENT:

The three CSTR’s in series with closed loop system are shown in figure where a first
order liquid phase reaction occurs in each of these reactors. Assuming isothermal system and
constant holdup of CSTR, formulate a mathematical model equation that computes the
concentration of product as a function of time.

DIAGRAM:

CSTR’s in series (Closed Loop)

THEORY:

In the system, product B is produced and reactant A is consumed in each of the three
perfectly mixed reactors by a first order reaction occurring in the liquid. The temperature and
holdups of the three tanks are assumed to be different, but both temperatures and the liquid
volumes are assumed to be constant. Density is assumed constant throughout the system, which
is a binary mixture of A and B.

The reaction taking place is A → B

The only difference from open loop is that a control mechanism is attached in the system,
which produces an error with respect to concentration of A in 3rd reactor as compared to the
required concentration (set point) in 3rd reactor. This error is added to the initial concentration of
reactant A, thus varying the input concentration with time.

MATHEMATICAL EQUATIONS:

Total Continuity Equation:

𝑑(𝑉. 𝜌)
=0
𝑑𝑡
𝐹0 = 𝐹1 = 𝐹2 = 𝐹3

Component Continuity Equation:

𝑑(𝐶𝐴1 )
𝑉1 = 𝐹(𝐶𝐴0 − 𝐶𝐴1 ) − 𝑉1 𝑘1 𝐶𝐴1
𝑑𝑡
𝑑(𝐶𝐴2 )
𝑉2 = 𝐹(𝐶𝐴1 − 𝐶𝐴2 ) − 𝑉2 𝑘2 𝐶𝐴2
𝑑𝑡
𝑑(𝐶𝐴3 )
𝑉3 = 𝐹(𝐶𝐴2 − 𝐶𝐴3 ) − 𝑉3 𝑘3 𝐶𝐴3
𝑑𝑡

GIVEN DATA:

CA0 = 1.8 CA1 = 0.4

CA2 = 0.2 CA3 = 0.1

τ=2 k = 0.5

erint = 0 CA3set = 0.08

cad = 0.2 Kc = 30

τi = 5

MODEL EQUATIONS:

𝑑(𝐶𝐴1 ) 1
= (𝐶𝐴0 − 𝐶𝐴1 ) − 𝑘𝐶𝐴1
𝑑𝑡 𝜏
 𝑑(𝐶𝐴2 ) 1
= (𝐶𝐴1 − 𝐶𝐴2 ) − 𝑘𝐶𝐴2
𝑑𝑡 𝜏
𝑑(𝐶𝐴3 ) 1
= (𝐶𝐴2 − 𝐶𝐴3 ) − 𝑘𝐶𝐴3
𝑑𝑡 𝜏
𝑒 = 𝐶𝐴3𝑠𝑒𝑡 − 𝐶𝐴3

𝑒 + 𝑒𝑟𝑖𝑛𝑡
𝑐𝑎𝑚 = 0.8 + 𝑘𝑐 ×
𝜏𝑖

𝐶𝐴0 = 𝑐𝑎𝑚 + 𝑐𝑎𝑑

𝑒𝑟𝑖𝑛𝑡 = 𝑒

PROGRAM SYNTAX:

#include<stdio.h>

#include<conio.h>

void main()

float time, delta, ca0, ca1, ca2, ca3, ca1dot, ca2dot, ca3dot, ca3set, tau, k, e, erint, kc, cad,
taui, cam;

int i;

time = 0; delta = 0.1; ca0 = 1.8; ca1 = 0.4; ca2 = 0.2; ca3 = 0.1;

tau = 2; k = 0.5; e = 0; erint = 0;

ca3set = 0.08; kc = 30; taui = 5; cam = 0; cad = 0.2;

printf(“\nTime\tca1\tca2\tca3\tcam”);

for(i=0; i<30; i++)

ca1dot = (ca0-ca1)/tau – k*ca1;

ca2dot = (ca1-ca2)/tau – k*ca2;

ca3dot = (ca2-ca3)/tau – k*ca3;

e = ca3set – ca3;
 cam = 0.8 + kc*((e+erint)/taui);

ca0 = cam + cad;

erint = e;

printf(“\n%f\t%f\t%f\t%f\t%f”, time, ca1, ca2, ca3, cam);

ca1 = ca1 + ca1dot*delta;

ca2 = ca2 + ca2dot*delta;

ca3 = ca3 + ca3dot*delta;

time = time + delta;

getch();

RESULTS:

time Ca1 Ca2 Ca3 cam

0 0.4 0.2 0.1 0.2
0.1 0.45 0.2 0.1 0.08
0.2 0.425 0.2025 0.1 0.08
0.3 0.3965 0.2035 0.100125 0.07625
0.4 0.37085 0.202975 0.100287 0.070625
0.5 0.347577 0.20122 0.100407 0.06605
0.6 0.326351 0.198477 0.100428 0.064723
0.7 0.307018 0.194947 0.100309 0.068169
0.8 0.289553 0.190803 0.100025 0.077389
0.9 0.274006 0.1862 0.099563 0.092962
1 0.260475 0.181281 0.098917 0.115124
1.1 0.249075 0.176176 0.098089 0.143831
1.2 0.239924 0.171012 0.097089 0.178799
1.3 0.233123 0.165907 0.095931 0.219548
1.4 0.228751 0.160973 0.094633 0.265428
1.5 0.226853 0.156313 0.093218 0.315654
1.6 0.227439 0.152024 0.091712 0.369327
1.7 0.230478 0.148194 0.090142 0.425464
1.8 0.235897 0.144898 0.088538 0.48302
1.9 0.24358 0.142203 0.086929 0.540912
2 0.253373 0.140162 0.085346 0.598046
2.1 0.265081 0.138814 0.08382 0.653338
2.2 0.278476 0.138187 0.082378 0.705734
 2.3 0.293295 0.138292 0.08105 0.754235
2.4 0.309252 0.139128 0.079859 0.797917
2.5 0.326039 0.140678 0.07883 0.835946
2.6 0.343331 0.142912 0.077981 0.867597
2.7 0.360795 0.145787 0.077328 0.892266
2.799999 0.378095 0.149248 0.076885 0.909486
2.899999 0.394899 0.153228 0.076659 0.918929
2.999999 0.410883 0.15765 0.076654 0.920419
3.099999 0.425741 0.162429 0.076871 0.913934
3.199999 0.439188 0.167473 0.077306 0.899601
3.299999 0.450966 0.172686 0.077949 0.877702
3.399999 0.46085 0.177965 0.078788 0.848662
3.499999 0.46865 0.183211 0.079808 0.813042
3.599999 0.474218 0.188323 0.080987 0.771531
3.699999 0.477448 0.193201 0.082305 0.724931
3.799999 0.47828 0.197754 0.083734 0.674139
3.899998 0.476698 0.201892 0.085249 0.620134
3.999998 0.472736 0.205538 0.086818 0.563956
4.099998 0.466469 0.208621 0.088413 0.506686
4.199998 0.45802 0.211082 0.090003 0.449425
4.299998 0.447552 0.212875 0.091557 0.393273
4.399998 0.435268 0.213965 0.093045 0.339308
4.499998 0.421405 0.214332 0.094439 0.288567
4.599998 0.40623 0.213969 0.095711 0.242023
4.699998 0.390035 0.212884 0.096839 0.200568
4.799998 0.373133 0.211097 0.097799 0.164995
4.899998 0.355848 0.208644 0.098574 0.135985
4.999998 0.338513 0.205572 0.099149 0.114091
5.099998 0.321461 0.20194 0.099513 0.099731
9.900002 0.280046 0.18966 0.099251 0.105582

10 0.266972 0.184696 0.098809 0.120223

PLOT:

Concentration vs Time
1

0.9

0.8

0.7

0.6
Concentration

Ca1 vs time
0.5
Ca2 vs time
0.4 Ca3 vs time
cam vs time
0.3

0.2

0.1

0
0 1 2 3 4 5 6 7 8 9 10
Time
 MODEL NO. 4
NON-ISOTHERMAL CSTR
 Model 4 – Non-Isothermal CSTR

AIM:

To develop and simulate mathematical model equation describing a non-isothermal

CSTR

PROBLEM STATEMENT:

A non-isothermal CSTR is shown in figure where an nth order irreversible exothermic

reaction takes place. Assuming negligible heat losses and constant density, formulate a
mathematical model equation that computes the concentration of reactant and flow rate of
reactant and jacket as a function of time.

DIAGRAM:

Non-isothermal CSTR

THEORY:

An irreversible exothermic reaction is carried out in a single perfectly mixed CSTR. The
reaction taking place is A → B.

The reaction is nth order in A and has a heat of reaction y (Btulb.mol of A reacted).
Negligible heat losses and constant density are assumed.

To remove the heat of reaction, the cooling jacket surrounds the reactor. Cooling water is
added to the jacket at a volumetric flow rate Fj with inlet temperature Tj. The volume of water in
jacket Vj is constant. The mass of metal wall is assumed to be negligible. So the thermal inertia
of the metal is not needed.
MATHEMATICAL EQUATIONS:

𝑑𝑉
= 𝐹0 − 𝐹
𝑑𝑡
𝑑(𝑉𝐶𝐴 )
= 𝐹0 𝐶𝐴0 − 𝐹𝐶𝐴 − 𝑉𝑘𝐶𝐴
𝑑𝑡
𝑑(𝑉𝑇) 𝜆𝑉𝑘𝐶𝐴 𝑈𝐴𝐻
= 𝐹0 𝑇0 − 𝐹𝑇 − − (𝑇 − 𝑇𝑗 )
𝑑𝑡 𝜌𝐶𝑃 𝜌𝐶𝑃

𝑑𝑇𝑗 𝐹𝑗 (𝑇𝑗0 − 𝑇𝑗 ) 𝑈𝐴𝐻

= + (𝑇 − 𝑇𝑗 )
𝑑𝑡 𝑉𝑗 𝜌𝑗 𝑉𝑗 𝐶𝑗
𝐸
𝐾 = 𝛼𝑒 𝑅𝑇

GIVEN DATA:

F = 40 α = 7.08×10 g = 50

V = 48 E = 30000 ρj = 62.31

CA0 = 0.55 R = 1.99 kc = 4

CA = 0.245 U = 150 Tj0 = 530

T = 600 λ = 30000 Vj = 3.85

Tj = 544.54 CP = 0.75 AH = 250

Fj = 49.9 Cj = 1 T0 = 530

MODEL EQUATIONS:

𝐹 = 40 − 10 × (48 − 𝑉)

−30000
𝑘 = 7 × 1010 × 𝑒𝑥𝑝 ( )
1.99𝑇

𝐹𝑗 = 49.9 − 𝑘𝑐 (600 − 𝑇)

𝑄 = 150 × 250 × (𝑇 − 𝑇𝑗 )

𝑑(𝑉𝑇) 30000𝑉𝑘𝐶𝐴
= 𝐹0 𝑇0 − 𝐹𝑇 −
𝑑𝑡 0.75 × 50
 𝑑𝑇𝑗 𝐹𝑗 (𝑇𝑗0 − 𝑇𝑗 ) 𝑄
= +
𝑑𝑡 3.85 240

PROGRAM SYNTAX:

#include<stdio.h>

#include<conio.h>

#include<math.h>

void main()

float time, v, vc, t, tj, f, vt, k, kc, ca0, tj0, f0, ca, q, t0, fj, delta, tprint, ca0, vcdot, vdot,
vtdot, tjdot;

int i;

time = 0; delta = 0.1; tprint = 1;

ca0 = 0.55; ca = 0.245;

t = 600; tj= 544.54; tj0 = 530;

f0 = 40; t0 = 530; kc = 4;

v = 48; vc = v*ca; vt = v*t;

for(i=0; i<=10; i++)

f = 40-10*(48-v);

t = t+0.5;

k = 7.00E10*exp(-30000/1.99*t);

fj = 49.9 – kc*(600-t);

ca = vc/v;

q = 150*250*(t-tj);
 vdot = f0-f;

vcdot = f0*ca0-f*ca-v*k*va;

vtdot = f0*t0-f*t-(30000*v*k*ca+q)/(0.75*50);

tjdot = (fj*(tj0-tj)/3.85)+(q/240);

printf(“\n%f\t%f\t%f\t%f\t%f\t%f”, time, ca, t, v, f, fj);

if(time<=tprint)

v = v + vdot*delta;

vc = vc + vcdot*delta;

vt = vt + vtdot*delta;

tj = tj + tjdot*delta;

time = time + delta;

tprint = tprint + 0.2;}

getch();}

RESULTS:

time ca t V F fj
0 0.245 600.5 48 40 51.900002
1 0.499167 601 48 40 53.900002
2 0.541528 601.5 48 40 55.900002
3 0.548588 602 48 40 57.900002
4 0.549765 602.5 48 40 59.900002
5 0.549961 603 48 40 61.900002
6 0.549993 603.5 48 40 63.900002
7 0.549999 604 48 40 65.900002
8 0.55 604.5 48 40 67.900002
9 0.55 605 48 40 69.900002
10 0.55 605.5 48 40 71.900002
PLOTS:

Flow Rate vs time

75

70

65
Flow Rate

60
fj vs time
55

50

45
0 2 4 6 8 10
Time

Concentration vs Time
0.6

0.55

0.5

0.45
Concentration

0.4
ca vs time
0.35

0.3

0.25

0.2
0 2 4 6 8 10
Time
 Tempertaure vs time
606

605

604
Temperature

603
t vs time

602

601

600
0 2 4 6 8 10 12
Time
 MODEL NO 5.
COMPLEX REACTION SCHEME
 Model 5 – Complex Reaction Scheme

AIM:

To develop and simulate mathematical model equation describing batch kinetics of

complex reaction scheme.

PROBLEM STATEMENT:

The following complex reaction is studied for batch kinetics by varying the rate constant.
Formulate a mathematical model to compute concentrations of A, B, C, D as a function of time.
Study the effects of various rate coefficients k1, k2, k3, k4 in the range of 0.001 to 0.1 on the time
dependent concentrations of A, B, C, and D.

REACTION SCHEME:

𝐴→𝐵→𝐷

↓↑

THEORY:

All the reactions are 1st order reactions. A→B, B→D are irreversible reactions, while
B→C is a reversible reaction. The system is assumed to have a constant holdup and batch
operation. Heat is not accounted since we are only concerned about the concentrations of the
components and the variations due to rate coefficients.

MATHEMATICAL EQUATIONS:

𝑑𝐶𝐴
= −𝑘1 𝐶𝐴
𝑑𝑡
𝑑𝐶𝐵
= 𝑘1 𝐶𝐴 − 𝑘2 𝐶𝐴 + 𝑘3 𝐶𝐶 − 𝑘4 𝐶𝐷
𝑑𝑡
𝑑𝐶𝐶
= 𝑘2 𝐶𝐵 − 𝑘3 𝐶𝐶
𝑑𝑡
 𝑑𝐶𝐷
= 𝑘4 𝐶𝐵
𝑑𝑡

GIVEN DATA:

CA = 0.12

CB = 0.11

CC = 0

CD = 0

k1 = 0.16

k2 = 0.05

k3 = 0.15

k4 = 0.14

PROGRAM SYNTAX:

#include<stdio.h>

#include<conio.h>

void main()

float time, delta, tprint, ca, cb, cc, cd, k1, k2, k3, k4, cadot, cbdot, ccdot, cddot;

int i;

time = 0; delta = 1; tprint = 10;

ca = 0.12; cb = 0.11; cc = 0; cd = 0;

k1 = 0.16; k2 = 0.05; k3 = 0.15; k4 = 0.14;

printf(“\nTime\tdelta\tca\tcb\tcc\tcd”);

for(i=0; i<=20; i++)

{
 cadot = -k1*ca;

cbdot = k1*ca – k2*cb + k3*cc – k4*cb;

ccdot = k2*cb – k3*cc;

cddot = k4*cb;

printf(“\n%f\t%f\t%f\t%f\t%f\t%f”, time, delta, ca, cb, cc, cd);

if(time<=tprint)

ca = ca + cadot*delta;

cb = cb + cbdot*delta;

cc = cc + ccdot*delta;

cd = cd + cddot*delta;

time = time + delta;

tprint = tprint + delta;

getch();}

RESULTS:

time delta ca cb Cc cd
0 1 0.12 0.11 0 0
1 1 0.1008 0.1083 0.0055 0.0154
2 1 0.084672 0.104676 0.01009 0.030562
3 1 0.071124 0.099849 0.01381 0.045217
4 1 0.059745 0.094329 0.016731 0.059195
5 1 0.050185 0.088475 0.018938 0.072401
6 1 0.042156 0.082535 0.020521 0.084788
7 1 0.035411 0.076677 0.02157 0.096343
8 1 0.029745 0.071009 0.022168 0.107078
9 1 0.024986 0.065602 0.022393 0.117019
10 1 0.020988 0.060494 0.022314 0.126203
PLOT:

Concentration vs Time

0.12

0.1

0.08
Concentration

ca vs time
0.06 cb vs time
cc vs time

0.04 cd vs time

0.02

0
0 1 2 3 4 5 6 7 8 9 10
Time
 MODEL NO 6.
2ND ORDER COMPLEX REACTION SCHEME
 Model 6 – 2nd Order Complex Reaction Scheme

AIM:

To develop and simulate mathematical model equation describing batch kinetics of 2nd
order complex reaction scheme.

PROBLEM STATEMENT:

The following complex reaction is studied for batch kinetics by varying the rate constant.
Formulate a mathematical model to compute concentrations of all reactants and products as a
function of time. Study the effects of various rate coefficients in the range of 0.001 to 0.1 on the
time dependent concentrations of reactants and products.

REACTION SCHEME:
𝑘1
𝐴+𝐵→𝐶
𝑘2
𝐴+𝐶→𝐷
𝑘3
𝐶 + 𝐷→𝐸
𝑘4
𝐵+𝐷→𝐹
𝑘5
2𝐶 → 𝐹
𝑘6
𝐵+𝐶→𝐺
𝑘7
𝐴+𝐺→𝐹
𝑘8
𝐴 +𝐹→𝐸

THEORY:
 All the reactions are 1st order irreversible reactions. The system is assumed to have a
constant holdup and batch operation. Heat is not accounted since we are only concerned about
the concentrations of the components and the variations due to rate coefficients.

MATHEMATICAL EQUATIONS:

𝑑𝐶𝐴
= −𝑘1 𝐶𝐴 𝐶𝐵 − 𝑘2 𝐶𝐴 𝐶𝐶 − 𝑘7 𝐶𝐴 𝐶𝐺 − 𝑘8 𝐶𝐴 𝐶𝐹
𝑑𝑡
𝑑𝐶𝐵
= −𝑘1 𝐶𝐴 𝐶𝐵 − 𝑘4 𝐶𝐵 𝐶𝐷 − 𝑘6 𝐶𝐵 𝐶𝐶
𝑑𝑡
𝑑𝐶𝐶
= 𝑘1 𝐶𝐴 𝐶𝐵 − 𝑘2 𝐶𝐴 𝐶𝐶 − 𝑘3 𝐶𝐶 𝐶𝐷 − 𝑘5 𝐶𝐶 𝐶𝐶 − 𝑘6 𝐶𝐵 𝐶𝐶
𝑑𝑡
𝑑𝐶𝐷
= 𝑘2 𝐶𝐴 𝐶𝐶 − 𝑘3 𝐶𝐶 𝐶𝐷 − 𝑘4 𝐶𝐵 𝐶𝐷
𝑑𝑡
𝑑𝐶𝐸
= 𝑘3 𝐶𝐶 𝐶𝐷 + 𝑘8 𝐶𝐴 𝐶𝐹
𝑑𝑡
𝑑𝐶𝐹
= 𝑘4 𝐶𝐵 𝐶𝐷 + 𝑘5 𝐶𝐶 𝐶𝐶 + 𝑘7 𝐶𝐴 𝐶𝐺 − 𝑘8 𝐶𝐴 𝐶𝐹
𝑑𝑡
𝑑𝐶𝐺
= 𝑘6 𝐶𝐵 𝐶𝐶 − 𝑘7 𝐶𝐴 𝐶𝐺
𝑑𝑡

GIVEN DATA:

CA = 0.15 CB = 0.1 CC = 0 CD = 0

CE = 0 CF = 0 CG = 0

k1 = 0.16 k2 = 0.05 k3 = 0.15 k4 = 0.14

k5 = 0.03 k6 = k7 = 0.05 k8 = 0.05

PROGRAM SYNTAX:

#include<stdio.h>

#include<conio.h>

void main()

float time, delta, tprint, ca, cb, cc, cd, ce, cf, cg, k1, k2, k3, k4, k5, k6, k7, k8, cadot,
cbdot, ccdot, cddot, cedot, cfdot, cgdot;

int i;

time = 0; delta = 1; tprint = 0;

ca = 0.15; cb = 0.1; cc = 0; cd = 0;

ce = 0.1; cf = 0; cg = 0;

k1 = 0.16; k2 = 0.05; k3 = 0.15; k4 = 0.14;

k5 = 0.03; k6 = ; k7 = 0.05; k8 = 0.05;

printf(“\nTime\tca\tcb\tcc\tcd\tce\tcf\tcg”);

for(i=0; i<=20; i++)

cadot = - k1*ca*cb – k2*ca*cc – k7*ca*cg – k8*ca*cf;

cbdot = - k1*ca*cb – k4*cb*cd – k6*cb*cc;

ccdot = k1*ca*cb – k2*ca*cc – k3*cc*cd – k5*cc*cc – k6*cc*cb;

cddot = k2*ca*cc – k3*cc*cd – k4*cb*cd;

cedot = k3*cc*cd + k8*ca*cf;

cfdot = k4*cb*cd + k5*cc*cc + k7*ca*cg – k8*ca*cf;

cgdot = k6*cb*cc – k7*ca*cg;

printf(“\n%f\t%f\t%f\t%f\t%f\t%f\t%f\t%f”, time, ca, cb, cc, cd, ce, cf, cg);

if(time<=tprint)

{
 ca = ca + cadot*delta;

cb = cb + cbdot*delta;

cc = cc + ccdot*delta;

cd = cd + cddot*delta;

ce = ce + cedot*delta;

cf = cf + cfdot*delta;

cg = cg + cgdot*delta;

time = time + delta; }

tprint = tprint + delta;}

getch();}

RESULTS:

time Ca Cb Cc Cd Ce Cf Cg
0 0.15 0.1 0 0 0 0 0
1 0.1476 0.0976 0.1 0 0 0 0
2 0.144557 0.094729 0.09543 0.000738 0 0.0003 0.000566
3 0.14167 0.092004 0.092697 0.001407 0.000015 0.000585 0.001086
4 0.138916 0.089406 0.090062 0.002026 0.000042 0.000864 0.001573
5 0.136286 0.086926 0.08755 0.002599 0.00008 0.001138 0.002029
6 0.133773 0.084558 0.085151 0.00313 0.000128 0.001406 0.002457
7 0.131368 0.082293 0.082858 0.003622 0.000185 0.001667 0.002858
8 0.129064 0.080126 0.080665 0.00408 0.000248 0.001923 0.003235
9 0.126855 0.078051 0.078565 0.004505 0.000319 0.002172 0.003589
10 0.124736 0.076062 0.076554 0.004901 0.000394 0.002416 0.003922
11 0.122701 0.074154 0.074625 0.00527 0.000475 0.002653 0.004235
12 0.120746 0.072322 0.072773 0.005614 0.00056 0.002885 0.00453
13 0.118864 0.070563 0.070995 0.005936 0.000649 0.00311 0.004808
14 0.117053 0.068872 0.069287 0.006236 0.000741 0.00333 0.00507
15 0.115309 0.067245 0.067644 0.006516 0.000835 0.003544 0.005317
16 0.113627 0.065679 0.066063 0.006779 0.000932 0.003753 0.00555
17 0.112005 0.064171 0.06454 0.007025 0.001031 0.003957 0.00577
18 0.110439 0.062718 0.063073 0.007255 0.001131 0.004155 0.005978
19 0.108926 0.061317 0.061659 0.007471 0.001233 0.004348 0.006175
20 0.107465 0.059964 0.060295 0.007674 0.001335 0.004536 0.00636
PLOTS:

Concentration vs Time
0.16

0.14

0.12
Concentration

0.1
Ca vs t
cb vs t
0.08

0.06

0.04
0 5 10 15 20 25
Time

Concentration vs Time

0.1

0.08
Concentration

0.06
cc vs t
0.04 cd vs t

0.02

0
0 5 10 15 20
Time
 Concentration vs Time
0.006

0.005
Concentration

0.004

ce vs t
0.003
cf vs t

0.002 cg vs t

0.001

0
0 5 10 15 20
Time
 MODEL NO 7.
SERIES PARALLEL REACTION SCHEME
 Model 7 – Series-Parallel Reaction Scheme

AIM:

To develop and simulate mathematical model equation describing batch kinetics of

series-parallel reaction scheme.

PROBLEM STATEMENT:

The following complex reaction is studied for batch kinetics by varying the rate constant.
Formulate a mathematical model to compute concentrations of all reactants and products as a
function of time. Study the effects of various rate coefficients in the range of 0.001 to 0.1 on the
time dependent concentrations of reactants and products.

REACTION SCHEME:
𝑘1 𝑘2 𝑘3
𝐴 →𝐵 →𝐶 →𝐸
𝑘4
𝐵→𝐷
𝑘5
𝐷 →𝐸

THEORY:

All the reactions are 1st order irreversible reactions. The system is assumed to have a
constant holdup and batch operation. Heat is not accounted since we are only concerned about
the concentrations of the components and the variations due to rate coefficients.

When materials react to form products, it is usually easy to decide after examining the
stoichiometry, preferably at more than one temperature, whether we should consider a single
reaction or a number of reactions to be occurring.

When a single stoichiometric equation and single rate equation are chosen to represent
the progress of the reaction, we have a single reaction. When more than one stoichiometric
equations are chosen to represent the observed changes, then more than one kinetic expression is
needed to follow the changing composition of all the components, and we have multiple
reactions.

Multiple reactions can be classified as:

  Series reactions: 𝐴 → 𝑅 → 𝑆
 Parallel reactions: These are of two types:
1. Competitive
𝐴→𝑅
↓
𝑆
2. Side by side
𝐴→𝑅
𝐴→𝑆

MATHEMATICAL EQUATIONS:

−29777
𝑘1 = 3.46831 × 1012 × exp ( )
𝑡1

−35919
𝑘2 = 2.3539 × 1014 × exp ( )
𝑡1

−18619
𝑘3 = 9.852 × 106 × exp ( )
𝑡1

−26638
𝑘4 = 3.77584 × 1012 exp ( )
𝑡1

𝑑𝐶𝐴
= −(𝑘1 + 𝑘2 )𝐶𝐴
𝑑𝑡
𝑑𝐶𝐵
= 𝑘1 𝐶𝐴 − 𝑘3 𝐶𝐵
𝑑𝑡
𝑑𝐶𝐶
= 𝑘2 𝐶𝐴 − 𝑘4 𝐶𝐶
𝑑𝑡
𝑑𝐶𝐷
= 𝑘3 𝐶𝐵 − 𝑘5 𝐶𝐷
𝑑𝑡
𝑑𝐶𝐸
= 𝑘5 𝐶𝐷 − 𝑘4 𝐶𝐶
𝑑𝑡

GIVEN DATA:

CA = 1 CB = 0 CC = 0 CD = 0 CE = 0

T1 = 919.9347
k1 = 3.46831×1012×exp(-29777/T1)

k2 = 2.3539×1014×exp(-35919/T1)

k3 = 9.852×106×exp(-18619/T1)

k4 = 3.77584×1012×exp(-26638/T1)

k5 = 0.013

PROGRAM SYNTAX:

#include<stdio.h>

#include<conio.h>

#include<math.h>

void main()

{ float time, delta, tprint, ca, cb, cc, cd, ce, k1, k2, k3, k4, k5, cadot, cbdot, ccdot, cddot,
cedot, t1;

int i;

time = 0; delta = 1; tprint = 0;

ca = 1; cb = 0; cc = 0; cd = 0; ce = 0;

t1 = 919.9347; k5 = 0.013;

k1 = 3.46831E12*exp(-29777/t1);

k2 = 2.35390E14*exp(-35919/t1);

k3 = 9.852E06*exp(-18619/t1);

k4 = 3.77584E12*exp(-26638/t1);

for(i=0; i<=65; i++)

{ cadot = -(k1+k2)*ca;

cbdot = k1*ca – k3*cb;

ccdot = k2*ca – k4*cc;

cddot = k3*cb – k5*cd;

cedot = k5*cd + k4*cc;

 if(time<=tprint)

{ ca = ca + cadot*delta;

cb = cb + cbdot*delta;

cc = cc + ccdot*delta;

cd = cd + cddot*delta;

ce = ce + cedot*delta;

printf(“\n%f\t%f\t%f\t%f\t%f\t%f”, time, ca, cb, cc, cd, ce);

time = time + delta; }

tprint = tprint + delta; }

getch(); }

RESULTS:

Time Ca Cb cc cd ce
0 1 0 0 0 0
1 0.96702 0.030382 0.002598 0 0
2 0.935128 0.059276 0.002504 0.000486 0.002607
3 0.904287 0.086739 0.002422 0.001427 0.005125
4 0.874464 0.112827 0.002342 0.002794 0.007573
5 0.845624 0.137591 0.002265 0.004561 0.009959
6 0.817735 0.161084 0.00219 0.006701 0.01229
7 0.790766 0.183354 0.002118 0.009188 0.014574
8 0.764687 0.204448 0.002048 0.011999 0.016818
9 0.739467 0.224413 0.00198 0.015111 0.019029
10 0.71508 0.243293 0.001915 0.018501 0.021212
11 0.691496 0.26113 0.001852 0.022149 0.023373
12 0.668691 0.277966 0.001791 0.026034 0.025519
13 0.646637 0.293839 0.001732 0.030138 0.027654
14 0.625311 0.308789 0.001675 0.034442 0.029783
15 0.604688 0.322852 0.001619 0.03893 0.031911
16 0.584746 0.336064 0.001566 0.043583 0.034041
17 0.565461 0.348458 0.001514 0.048388 0.036179
18 0.546812 0.360069 0.001464 0.053328 0.038327
19 0.528778 0.370927 0.001416 0.058389 0.04049
20 0.511339 0.381065 0.001369 0.063558 0.042669
21 0.494475 0.39051 0.001324 0.068822 0.044869
22 0.478167 0.399292 0.00128 0.074168 0.047092
23 0.462397 0.407438 0.001238 0.079586 0.049341
24 0.447147 0.414974 0.001197 0.085063 0.051618
25 0.4324 0.421927 0.001158 0.090589 0.053925
26 0.41814 0.428321 0.00112 0.096155 0.056265
27 0.404349 0.43418 0.001083 0.10175 0.058638
28 0.391014 0.439526 0.001047 0.107366 0.061047
29 0.378118 0.444381 0.001013 0.112995 0.063493
30 0.365648 0.448767 0.000979 0.118628 0.065978
31 0.353589 0.452703 0.000947 0.124258 0.068503
32 0.341928 0.456211 0.000916 0.129878 0.071068
33 0.330651 0.459308 0.000885 0.135481 0.073675
34 0.319746 0.462013 0.000856 0.14106 0.076325
35 0.309201 0.464344 0.000828 0.14661 0.079017
36 0.299003 0.466317 0.000801 0.152125 0.081754
37 0.289142 0.467948 0.000774 0.1576 0.084535
38 0.279606 0.469254 0.000749 0.16303 0.087361
39 0.270385 0.47025 0.000724 0.16841 0.090231
40 0.261467 0.470949 0.0007 0.173737 0.093147
41 0.252844 0.471366 0.000677 0.179005 0.096108
42 0.244505 0.471514 0.000655 0.184211 0.099114
43 0.236442 0.471407 0.000633 0.189352 0.102166
44 0.228644 0.471057 0.000612 0.194424 0.105263
45 0.221103 0.470475 0.000592 0.199425 0.108405
46 0.213811 0.469673 0.000573 0.204352 0.111591
47 0.20676 0.468663 0.000554 0.209202 0.114822
48 0.199941 0.467455 0.000535 0.213972 0.118097
49 0.193347 0.466058 0.000518 0.218661 0.121416
50 0.18697 0.464484 0.000501 0.223267 0.124778
51 0.180804 0.462741 0.000484 0.227788 0.128183
52 0.174841 0.460839 0.000468 0.232222 0.13163
53 0.169075 0.458786 0.000453 0.236569 0.135119
54 0.163498 0.45659 0.000438 0.240825 0.138648
55 0.158106 0.45426 0.000423 0.244992 0.142218
56 0.152892 0.451804 0.000409 0.249067 0.145828
57 0.14785 0.449228 0.000396 0.25305 0.149476
58 0.142973 0.446541 0.000383 0.25694 0.153163
59 0.138258 0.443748 0.00037 0.260736 0.156888
60 0.133698 0.440856 0.000358 0.264438 0.160649
61 0.129289 0.437873 0.000346 0.268047 0.164446
62 0.125025 0.434803 0.000335 0.27156 0.168278
63 0.120902 0.431652 0.000324 0.274979 0.172144
64 0.116914 0.428427 0.000313 0.278303 0.176043
65 0.113059 0.425132 0.000303 0.281532 0.179975
PLOT:

Concentration vs Time
1

0.9

0.8

0.7
Concentration

0.6 ca vs time
0.5 cb vs time

0.4 cc vs time
cd vs time
0.3
ce vs time
0.2

0.1

0
0 10 20 30 40 50 60 70
Time
 MODEL NO 8
SEMI – BATCH REACTOR
 Model 8 – Semi-Batch Reactor

AIM:

To develop and simulate mathematical model equation describing kinetics of semi batch
reactor for esterification of acetic acid and ethyl alcohol at constant temperature.

PROBLEM STATEMENT:

The esterification of acetic acid and ethyl alcohol is to be carried out in a semi batch
stirred tank reactor at constant temperature of 100 ̊ C. The alcohol is then added at a rate at which
density is constant and equal to that of water. Compute conversion of acetic acid to ester as a
function of time from T = 0, until the last amount of acetic acid is added at 120min.

DIAGRAM:

Semi-batch reactor

THEORY:

The semi-batch reactor is a flexible system but is more difficult to analyze than the other
reactor types. It offers good control of reaction speed because the reaction proceeds as reactants
are added. Such reactors are used in a variety of applications from the calorimetric titrations in
the laboratory to the large open hearth furnaces for steel production.

A semi-batch reactor is operated with both continuous and batch inputs and outputs. A
fermenter, for example, is loaded with a batch, which constantly produces carbon dioxide, which
has to be removed continuously. Analogously, driving a reaction of gas with a liquid is usually
difficult, since the gas bubbles off. Therefore, a continuous feed of gas is injected into the batch
of a liquid. One chemical reactant is charged to the vessel and a second chemical is added
slowly.

MATHEMATICAL EQUATIONS:

𝑑(𝑉𝐶𝐴 )
= 𝐹𝐴 𝐶𝐴0 − 𝑘𝐶𝐴 𝐶𝐵 𝑉
𝑑𝑡
𝑑(𝑉𝐶𝐵 )
= −𝑘𝐶𝐴 𝐶𝐵 𝑉
𝑑𝑡
𝑑(𝑉𝐶𝐶 )
= 𝑘𝐶𝐴 𝐶𝐵 𝑉
𝑑𝑡
𝑑(𝑉𝑇) −𝑘𝐶𝐴 𝐶𝐵 𝑉𝜆 − 𝑈𝐴(𝑇 − 𝑇𝑗 )
= + 𝐹𝐴 𝑇0
𝑑𝑡 𝜌𝐶𝑝

GIVEN DATA:

λ = 30000 ρ = 50 Cp = 0.75 T = 600

T0 = 800 U = 0.00015 A = 25 Tj = 40

CA = 0 CB = 0.1 CC = 0

PROGRAM SYNTAX:

k = 8×107exp(-30000/1.99T)

#include<stdio.h>

#include<conio.h>

#include<math.h>

void main()

float time, delta, tprint, ca, cb, cc, vt, v, k, Fa, ca0, lambda, rho, cp, T, T0, vca, vcb, vcc,
vcadot, vcbdot, vccdot, vtdot, vdot, U, A;

int i;
v = 20; Fa = 0.1; ca0 = 0.1;

lambda = 30000; rho = 50;

cp = 0.75; T = 600; T0 = 800;

U = 0.00015; A = 25;

time = 0; delta = 20; tprint = 0;

ca = 0; cb = 0.1; cc = 0;

vt = v*T; vca = v*ca; vcb = v*cb; vcc = v*cc;

for(i=0; i<=70; i++)

T = vt/v;

Fa = (800/T-1)*0.5;

ca = vca/v;

cb = vcb/v;

cc = vcc/v;

k = 8.00E7*exp(-30000/1.99*T);

vdot = Fa;

vcadot = Fa*ca0-k*ca*cb*v;

vcbdot = -k*ca*cb*v;

vccdot = k*ca*cb*v;

vtdot = (-k*ca*cb*v*lambda-(U*A*(T-40)))/(rho*cp)+Fa*T0;

printf(“\n%f\t%f\t%f\t%f\t%f\t%f\t%f”,time, ca, cb, cc, v, T, k);

if(time<=tprint)

v = v + vdot*delta;

vca = vca + vcadot*delta;

vcb = vcb + vcbdot*delta;

 vcc = vcc + vccdot*delta;

vt = vt + vtdot*delta;

time = time + delta; }

tprint = tprint + delta; }

getch(); }

RESULTS:

time ca cb v T
0 0 0.1 20 600
20 0.014286 0.085714 23.33333 628.5234
40 0.023259 0.076741 26.06158 646.4292
60 0.02967 0.07033 28.43726 659.216
80 0.034583 0.065417 30.57289 669.0098
100 0.03852 0.06148 32.53086 676.8552
120 0.041776 0.058224 34.35022 683.3405
140 0.044533 0.055467 36.05742 688.8282
160 0.046909 0.053091 37.67135 693.5566
180 0.048988 0.051012 39.20609 697.6901
200 0.050827 0.049173 40.6725 701.3464
220 0.052471 0.047529 42.07913 704.6129
240 0.053952 0.046048 43.43288 707.5554
260 0.055297 0.044703 44.73942 710.2252
280 0.056525 0.043475 46.00346 712.6627
300 0.057653 0.042347 47.22896 714.9005
320 0.058694 0.041306 48.41933 716.9647
340 0.059659 0.040341 49.57748 718.8772
360 0.060557 0.039443 50.70594 720.6558
380 0.061395 0.038605 51.80694 722.3158
400 0.06218 0.03782 52.88243 723.8699
420 0.062918 0.037082 53.93414 725.3291
440 0.063612 0.036388 54.96362 726.7028
460 0.064268 0.035732 55.97224 727.999
480 0.064888 0.035112 56.96127 729.225
500 0.065477 0.034523 57.93182 730.387
520 0.066035 0.033965 58.88492 731.4902
540 0.066567 0.033433 59.8215 732.5397
560 0.067074 0.032926 60.74241 733.5397
580 0.067558 0.032442 61.64843 734.4939
600 0.068021 0.031979 62.54028 735.4059
 620 0.068464 0.031536 63.41863 736.2786
640 0.068888 0.031112 64.28408 737.1147
660 0.069296 0.030704 65.13721 737.9169
680 0.069687 0.030313 65.97854 738.6874
700 0.070064 0.029936 66.80856 739.4282
720 0.070426 0.029574 67.62773 740.1412
740 0.070776 0.029224 68.43648 740.8282
760 0.071113 0.028887 69.23521 741.4905
780 0.071438 0.028562 70.02428 742.1298
800 0.071753 0.028247 70.80407 742.7474
820 0.072057 0.027943 71.57489 743.3444
840 0.072352 0.027648 72.33706 743.9219
860 0.072637 0.027363 73.09087 744.481
880 0.072913 0.027087 73.83662 745.0226
900 0.073181 0.026819 74.57455 745.5477
920 0.073441 0.026559 75.30492 746.0571
940 0.073694 0.026306 76.02795 746.5515
960 0.073939 0.026061 76.74389 747.0317
980 0.074178 0.025822 77.45294 747.4984

PLOTS:

Velocity vs Time
80

70

60
Velocity

50
v vs time

40

30

20
0 200 400 600 800 1000
TIme
 Temperature vs time
760

740

720

700
Temperature

680
T vs time
660

640

620

600
0 200 400 600 800 1000 1200
Time

Concentration vs Time
0.1

0.09

0.08

0.07

0.06
Concentration

0.05
ca vs time
0.04 cb vs time

0.03

0.02

0.01

0
0 200 400 600 800 1000
Time