Problem 5.

26 in Felder and Rousseau Textbook, 2nd Edition

Similar to Problem 5.38 in Felder and Rousseau Textbook, 3rd Edtion

Equation Math Algorithm A Math Algorithm B or C Rank

of State xf,PY xf,H2 xf,PR Pf Pf dev xf,PY xf,H2 xf,PR η η dev eos

ideal gas 0.0000 0.0000 1.0000 28.07 9.20% 0.2002 0.2002 0.5997 0.7498 15.15%

LKP 0.0000 0.0000 1.0000 32.19 -4.11% 0.0722 0.0722 0.8556 0.9222 -4.37%

SRK 0.0000 0.0000 1.0000 31.31 -1.25% 0.0958 0.0958 0.8083 0.8940 -1.18%

PR 0.0000 0.0000 1.0000 31.58 -2.13% 0.0876 0.0876 0.8248 0.9040 -2.31%

PRSV 0.0000 0.0000 1.0000 30.92 0.00% 0.1043 0.1043 0.7915 0.8836 0.00%

%deviation = (PRSV - eos)/PRSV * 100

 Problem 5.26 in Felder and Rousseau Textbook, 2nd Edition
Similar to Problem 5.38 in Felder and Rousseau Textbook, 3rd Edtion

CHEG 200, Michael Hanyak, Oct. 18, 2007

Mathematical Algorithm A

Know Data:

Rxn 1: C3H6(g) + H2(g) → C3H8(g)

propylene hydrogen propane

R= 0.08206 L atm / mol K

Ti = 298.15 K
Pi = 32 atm
ni = 100 mol

xi,PY = 0.5 mol frac of propylene

xi,H2 = 0.5 mol frac of hydrogen

Tf = 523.15 K
η= 1 fractional conversion

Calculations:

nf,PY = xi,PY * (1 - η) * ni = 0 g-mol

R1 = xi,PY * ni - nf,PY = 50 g-rxns
nf = ni - R1 = 50 g-mol
nf,H2 = xi,H2 * ni - R1 = 0 g-mol
nf,PR = R1 = 50 g-mol

xf,PY = nf,PY / nf = 0 mol frac of propylene

xf,H2 = nf,H2 / nf = 0 mol frac of hydrogen
xf,PR = nf,PR / nf = 1 mol frac of propane

Vcapi = R * Ti / Pi = 0.764568 L / g-mol ideal gas law

Vi = Vcapi * ni = 76.45684 L
Vf = Vi = 76.45684 L

Vcapf = Vf / nf = 1.529137 L / g-mol

Pf = R * Tf / Vcapf = 28.07446 atm ideal gas law

Check Equation:

Sum of xf,j's = 1.0000 must equal 1.0

 Problem 5.26 in Felder and Rousseau Textbook, 2nd Edition
Similar to Problem 5.38 in Felder and Rousseau Textbook, 3rd Edtion

CHEG 200, Michael Hanyak, Oct. 18, 2007

Mathematical Algorithm B

Know Data:

Rxn 1: C3H6(g) + H2(g) → C3H8(g)

propylene hydrogen propane

R= 0.08206 L atm / mol K

Ti = 298.15 K
Pi = 32 atm
ni = 100 mol

xi,PY = 0.5 mol frac of propylene

xi,H2 = 0.5 mol frac of hydrogen

Tf = 523.15 K
Pf = 35.1 atm

Calculations:

Vcapi = R * Ti / Pi = 0.764568 L / g-mol ideal gas law

Vi = Vcapi * ni = 76.45684 L
Vf = Vi = 76.45684 L
Vcapf = R * Tf / Pf = 1.223068 L / g-mol ideal gas law
nf = Vf / Vcapf = 62.51234 g-mol

R1 = ni - nf = 37.48766 g-rxns
nf,PY = xi,PY * ni - R1 = 12.51234 g-mol
nf,H2 = xi,H2 * ni - R1 = 12.51234 g-mol
nf,PR = R1 = 37.48766 g-mol

xf,PY = nf,PY / nf = 0.200158 mol frac of propylene

xf,H2 = nf,H2 / nf = 0.200158 mol frac of hydrogen
xf,PR = nf,PR / nf = 0.599684 mol frac of propane

η = (xi,PY * ni - nf,PY) / (xi,PY * ni) = 0.749753 fractional conversion

Check Equation:
Sum of xf,j's = 1.0000 must equal 1.0
 Problem 5.26 in Felder and Rousseau Textbook, 2nd Edition
Similar to Problem 5.38 in Felder and Rousseau Textbook, 3rd Edtion

CHEG 200, Michael Hanyak, Oct. 18, 2007

Mathematical Algorithm A

Know Data:

Rxn 1: C3H6(g) + H2(g) → C3H8(g)

propylene hydrogen propane

Ti = 25 C
Pi = 32 atm
ni = 100 mol

xi,PY = 0.5 mol frac of propylene

xi,H2 = 0.5 mol frac of hydrogen

Tf = 250 C
η= 1 fractional conversion

Calculations:

nf,PY = xi,PY * (1 - η) * ni = 0 g-mol

R1 = xi,PY * ni - nf,PY = 50 g-rxns
nf = ni - R1 = 50 g-mol
nf,H2 = xi,H2 * ni - R1 = 0 g-mol
nf,PR = R1 = 50 g-mol

xf,PY = nf,PY / nf = 0.0000 mol frac of propylene

xf,H2 = nf,H2 / nf = 0.0000 mol frac of hydrogen
xf,PR = nf,PR / nf = 1.0000 mol frac of propane

Vcapi = eos[ Ti, Pi, Xi ] = 0.615704 L / g-mol eos is Lee-Kesler-Plocker in HYSYS

Vi = Vcapi * ni = 61.5704 L
Vf = Vi = 61.5704 L
Vcapf = Vf / nf = 1.231408 L / g-mol

Iterate Pf = 32.1904 in atm

Vcap'f = eos[ Tf, Pf, Xf ] = 1.23142 eos is Lee-Kesler-Plocker in HYSYS
Until f(Pf) = Vcapf – Vcap'f = -0.00001 must be close to zero

Check Equation: Sum of xf,j's = 1.0000 must equal 1.0

 Problem 5.26 in Felder and Rousseau Textbook, 2nd Edition
Similar to Problem 5.38 in Felder and Rousseau Textbook, 3rd Edtion

CHEG 200, Michael Hanyak, Oct. 18, 2007

Mathematical Algorithm C

Know Data:

Rxn 1: C3H6(g) + H2(g) → C3H8(g)

propylene hydrogen propane

Ti = 25 C
Pi = 32 atm
ni = 100 mol
xi,PY = 0.5 mol frac of propylene
xi,H2 = 0.5 mol frac of hydrogen

Tf = 250 C
Pf = 35.1 atm

Calculations:

Vcapi = eos[ Ti, Pi, Xi ] = 0.615704 L / g-mol eos is Lee-Kesler-Plocker in HYSYS

Vi = Vcapi * ni = 61.57044 L
Vf = Vi = 61.57044 L

Iterate η = 0.922200 in fractional conversion, range of 0.0 to 1.0

nf,PY = xi,PY * (1 - η) * ni = 3.89 g-mol

R1 = xi,PY * ni - nf,PY = 46.11 g-rxns
nf = ni - R1 = 53.89 g-mol
nf,H2 = xi,H2 * ni - R1 = 3.89 g-mol
nf,PR = R1 = 46.11 g-mol

xf,PY = nf,PY / nf = 0.072184 mol frac of propylene

xf,H2 = nf,H2 / nf = 0.072184 mol frac of hydrogen
xf,PR = nf,PR / nf = 0.855632 mol frac of propane

Vcapf = Vf / nf = 1.142521 L / g-mol

Vcap'f = eos[ Tf, Pf, Xf ] = 1.143398 eos is Lee-Kesler-Plocker in HYSYS

Until f(η) = Vcapf – Vcap'f = -0.0009 must be close to zero -0.08% difference
Check Equation: Sum of xf,j's = 1.0000 must equal 1.0
 Problem 5.26 in Felder and Rousseau Textbook, 2nd Edition
Similar to Problem 5.38 in Felder and Rousseau Textbook, 3rd Edtion

CHEG 200, Michael Hanyak, Oct. 18, 2007

Mathematical Algorithm A

Know Data:

Rxn 1: C3H6(g) + H2(g) → C3H8(g)

propylene hydrogen propane

Ti = 25 C
Pi = 32 atm
ni = 100 mol

xi,PY = 0.5 mol frac of propylene

xi,H2 = 0.5 mol frac of hydrogen

Tf = 250 C
η= 1 fractional conversion

Calculations:

nf,PY = xi,PY * (1 - η) * ni = 0 g-mol

R1 = xi,PY * ni - nf,PY = 50 g-rxns
nf = ni - R1 = 50 g-mol
nf,H2 = xi,H2 * ni - R1 = 0 g-mol
nf,PR = R1 = 50 g-mol

xf,PY = nf,PY / nf = 0.0000 mol frac of propylene

xf,H2 = nf,H2 / nf = 0.0000 mol frac of hydrogen
xf,PR = nf,PR / nf = 1.0000 mol frac of propane

Vcapi = eos[ Ti, Pi, Xi ] = 0.637335 L / g-mol eos is Soave-Redlich-Kwong in HYSYS

Vi = Vcapi * ni = 63.73354 L
Vf = Vi = 63.73354 L
Vcapf = Vf / nf = 1.274671 L / g-mol

Iterate Pf = 31.3076 in atm

Vcap'f = eos[ Tf, Pf, Xf ] = 1.274668 eos is Soave-Redlich-Kwong in HYSYS
Until f(Pf) = Vcapf – Vcap'f = 0.00000 must be close to zero

Check Equation: Sum of xf,j's = 1.0000 must equal 1.0

 Problem 5.26 in Felder and Rousseau Textbook, 2nd Edition
Similar to Problem 5.38 in Felder and Rousseau Textbook, 3rd Edtion

CHEG 200, Michael Hanyak, Oct. 18, 2007

Mathematical Algorithm C

Know Data:

Rxn 1: C3H6(g) + H2(g) → C3H8(g)

propylene hydrogen propane

Ti = 25 C
Pi = 32 atm
ni = 100 mol
xi,PY = 0.5 mol frac of propylene
xi,H2 = 0.5 mol frac of hydrogen

Tf = 250 C
Pf = 35.1 atm

Calculations:

Vcapi = eos[ Ti, Pi, Xi ] = 0.637335 L / g-mol eos is Soave-Redlich-Kwong in HYSYS

Vi = Vcapi * ni = 63.73354 L
Vf = Vi = 63.73354 L

Iterate η = 0.894000 in fractional conversion, range of 0.0 to 1.0

nf,PY = xi,PY * (1 - η) * ni = 5.3 g-mol

R1 = xi,PY * ni - nf,PY = 44.7 g-rxns
nf = ni - R1 = 55.3 g-mol
nf,H2 = xi,H2 * ni - R1 = 5.3 g-mol
nf,PR = R1 = 44.7 g-mol

xf,PY = nf,PY / nf = 0.095841 mol frac of propylene

xf,H2 = nf,H2 / nf = 0.095841 mol frac of hydrogen
xf,PR = nf,PR / nf = 0.808318 mol frac of propane

Vcapf = Vf / nf = 1.15251 L / g-mol

Vcap'f = eos[ Tf, Pf, Xf ] = 1.15321 eos is Soave-Redlich-Kwong in HYSYS

Until f(η) = Vcapf – Vcap'f = -0.0007 must be close to zero -0.06% difference
Check Equation: Sum of xf,j's = 1.0000 must equal 1.0
 Problem 5.26 in Felder and Rousseau Textbook, 2nd Edition
Similar to Problem 5.38 in Felder and Rousseau Textbook, 3rd Edtion

CHEG 200, Michael Hanyak, Oct. 18, 2007

Mathematical Algorithm A

Know Data:

Rxn 1: C3H6(g) + H2(g) → C3H8(g)

propylene hydrogen propane

Ti = 25 C
Pi = 32 atm
ni = 100 mol

xi,PY = 0.5 mol frac of propylene

xi,H2 = 0.5 mol frac of hydrogen

Tf = 250 C
η= 1 fractional conversion

Calculations:

nf,PY = xi,PY * (1 - η) * ni = 0 g-mol

R1 = xi,PY * ni - nf,PY = 50 g-rxns
nf = ni - R1 = 50 g-mol
nf,H2 = xi,H2 * ni - R1 = 0 g-mol
nf,PR = R1 = 50 g-mol

xf,PY = nf,PY / nf = 0.0000 mol frac of propylene

xf,H2 = nf,H2 / nf = 0.0000 mol frac of hydrogen
xf,PR = nf,PR / nf = 1.0000 mol frac of propane

Vcapi = eos[ Ti, Pi, Xi ] = 0.619675 L / g-mol eos is Peng-Robinson in HYSYS

Vi = Vcapi * ni = 61.96749 L
Vf = Vi = 61.96749 L
Vcapf = Vf / nf = 1.23935 L / g-mol

Iterate Pf = 31.5780 in atm

Vcap'f = eos[ Tf, Pf, Xf ] = 1.23933 eos is Peng-Robinson in HYSYS
Until f(Pf) = Vcapf – Vcap'f = 0.0000 must be close to zero

Check Equation: Sum of xf,j's = 1.0000 must equal 1.0

 Problem 5.26 in Felder and Rousseau Textbook, 2nd Edition
Similar to Problem 5.38 in Felder and Rousseau Textbook, 3rd Edtion

CHEG 200, Michael Hanyak, Oct. 18, 2007

Mathematical Algorithm C

Know Data:

Rxn 1: C3H6(g) + H2(g) → C3H8(g)

propylene hydrogen propane

Ti = 25 C
Pi = 32 atm
ni = 100 mol
xi,PY = 0.5 mol frac of propylene
xi,H2 = 0.5 mol frac of hydrogen

Tf = 250 C
Pf = 35.1 atm

Calculations:

Vcapi = eos[ Ti, Pi, Xi ] = 0.619675 L / g-mol eos is Peng-Robinson in HYSYS

Vi = Vcapi * ni = 61.96749 L
Vf = Vi = 61.96749 L

Iterate η = 0.904000 in fractional conversion, range of 0.0 to 1.0

nf,PY = xi,PY * (1 - η) * ni = 4.8 g-mol

R1 = xi,PY * ni - nf,PY = 45.2 g-rxns
nf = ni - R1 = 54.8 g-mol
nf,H2 = xi,H2 * ni - R1 = 4.8 g-mol
nf,PR = R1 = 45.2 g-mol

xf,PY = nf,PY / nf = 0.087591 mol frac of propylene

xf,H2 = nf,H2 / nf = 0.087591 mol frac of hydrogen
xf,PR = nf,PR / nf = 0.824818 mol frac of propane

Vcapf = Vf / nf = 1.13079 L / g-mol

Vcap'f = eos[ Tf, Pf, Xf ] = 1.12999 eos is Peng-Robinson in HYSYS

Until f(η) = Vcapf – Vcap'f = 0.0008 must be close to zero 0.07% difference
Check Equation: Sum of xf,j's = 1.0000 must equal 1.0
 Problem 5.26 in Felder and Rousseau Textbook, 2nd Edition
Similar to Problem 5.38 in Felder and Rousseau Textbook, 3rd Edtion

CHEG 200, Michael Hanyak, Oct. 18, 2007

Mathematical Algorithm A

Know Data:

Rxn 1: C3H6(g) + H2(g) → C3H8(g)

propylene hydrogen propane

Ti = 25 C
Pi = 32 atm
ni = 100 mol

xi,PY = 0.5 mol frac of propylene

xi,H2 = 0.5 mol frac of hydrogen

Tf = 250 C
η= 1 fractional conversion

Calculations:

nf,PY = xi,PY * (1 - η) * ni = 0 g-mol

R1 = xi,PY * ni - nf,PY = 50 g-rxns
nf = ni - R1 = 50 g-mol
nf,H2 = xi,H2 * ni - R1 = 0 g-mol
nf,PR = R1 = 50 g-mol

xf,PY = nf,PY / nf = 0.0000 mol frac of propylene

xf,H2 = nf,H2 / nf = 0.0000 mol frac of hydrogen
xf,PR = nf,PR / nf = 1.0000 mol frac of propane

Vcapi = eos[ Ti, Pi, Xi ] = 0.633226 L / g-mol eos is Peng-Robinson Stryjek-Vera

Vi = Vcapi * ni = 63.32256 L
Vf = Vi = 63.32256 L
Vcapf = Vf / nf = 1.266451 L / g-mol

Iterate Pf = 30.9200 in atm

Vcap'f = eos[ Tf, Pf, Xf ] = 1.266327 eos is Peng-Robinson Stryjek-Vera
Until f(Pf) = Vcapf – Vcap'f = 0.0001 must be close to zero

Check Equation: Sum of xf,j's = 1.0000 must equal 1.0

 Problem 5.26 in Felder and Rousseau Textbook, 2nd Edition
Similar to Problem 5.38 in Felder and Rousseau Textbook, 3rd Edtion

CHEG 200, Michael Hanyak, Oct. 18, 2007

Mathematical Algorithm C

Know Data:

Rxn 1: C3H6(g) + H2(g) → C3H8(g)

propylene hydrogen propane

Ti = 25 C
Pi = 32 atm
ni = 100 mol
xi,PY = 0.5 mol frac of propylene
xi,H2 = 0.5 mol frac of hydrogen

Tf = 250 C
Pf = 35.1 atm

Calculations:

Vcapi = eos[ Ti, Pi, Xi ] = 0.633226 L / g-mol eos is Peng-Robinson Stryjek-Vera

Vi = Vcapi * ni = 63.32256 L
Vf = Vi = 63.32256 L

Iterate η = 0.883600 in fractional conversion, range of 0.0 to 1.0

nf,PY = xi,PY * (1 - η) * ni = 5.82 g-mol

R1 = xi,PY * ni - nf,PY = 44.18 g-rxns
nf = ni - R1 = 55.82 g-mol
nf,H2 = xi,H2 * ni - R1 = 5.82 g-mol
nf,PR = R1 = 44.18 g-mol

xf,PY = nf,PY / nf = 0.104264 mol frac of propylene

xf,H2 = nf,H2 / nf = 0.104264 mol frac of hydrogen
xf,PR = nf,PR / nf = 0.791473 mol frac of propane

Vcapf = Vf / nf = 1.13441 L / g-mol

Vcap'f = eos[ Tf, Pf, Xf ] = 1.13479 eos is Peng-Robinson Stryjek-Vera

Until f(η) = Vcapf – Vcap'f = -0.0004 must be close to zero -0.03% difference
Check Equation: Sum of xf,j's = 1.0000 must equal 1.0