DWSIM Simulation Results Report

Simulation Name: Equilibrium Reactor

Date created: 12/05/2020 11:00:42

Material Stream: Feed

Calculation results for Material Stream Feed

Compounds: {Carbon monoxide; Water; Hydrogen; Carbon dioxide}
Specification: Temperature and Pressure
Temperature: 225 C
Pressure: 1.01325 bar
Property Package: Peng-Robinson (PR)

Stream Temperature 225 C

Stream Pressure 1.01325 bar
Stream Enthalpy 275.898 kJ/kg
Stream Entropy 0.970824 kJ/[kg.K]

Vapor Phase Molar Fraction 1

Liquid Phase 1 Molar Fraction 0
Liquid Phase 2 Molar Fraction 0
Solid Phase Molar Fraction 0

[Vapor Phase] Mass Flow 3600 kg/h

[Vapor Phase] Molar Flow 156.437 kmol/h
[Vapor Phase] Volumetric Flow 6386.46 m3/h
[Vapor Phase] Phase Mole Fraction 1
[Vapor Phase] Phase Mass Fraction 1

[Vapor Phase] Carbon monoxide Mole F... 0.5

[Vapor Phase] Water Mole Frac 0.5
[Vapor Phase] Hydrogen Mole Frac 0
[Vapor Phase] Carbon dioxide Mole Fr... 0

[Vapor Phase] Carbon monoxide Mass F... 0.608582

[Vapor Phase] Water Mass Frac 0.391418
[Vapor Phase] Hydrogen Mass Frac 0
[Vapor Phase] Carbon dioxide Mass Fr... 0

[Vapor Phase] Carbon monoxide Mole F... 78.2184 kmol/h

[Vapor Phase] Water Mole Flow 78.2184 kmol/h
[Vapor Phase] Hydrogen Mole Flow 0 kmol/h
[Vapor Phase] Carbon dioxide Mole Fl... 0 kmol/h

[Vapor Phase] Carbon monoxide Mass F... 2190.9 kg/h

[Vapor Phase] Water Mass Flow 1409.1 kg/h
[Vapor Phase] Hydrogen Mass Flow 0 kg/h
[Vapor Phase] Carbon dioxide Mass Fl... 0 kg/h

[Vapor Phase] Molecular Weight 23.0125 kg/kmol

[Vapor Phase] Compressibility Factor 0.998775
[Vapor Phase] Isothermal Compressibi... 9.88133E-061/Pa
[Vapor Phase] Bulk Modulus 1.01201 bar
[Vapor Phase] Joule Thomson Coeffici... 2.79394E-05K/Pa
[Vapor Phase] Speed of Sound 423.712 m/s
[Vapor Phase] Volume 40.8246 m3/kmol
[Vapor Phase] Density 0.563693 kg/m3
[Vapor Phase] Viscosity 2.19478E-05Pa.s
[Vapor Phase] Thermal Conductivity 0.0370749 W/[m.K]
[Vapor Phase] Heat Capacity Cp 1.41214 kJ/[kg.K]
[Vapor Phase] Heat Capacity Cv 1.04832 kJ/[kg.K]
[Vapor Phase] Enthalpy 275.898 kJ/kg
[Vapor Phase] Entropy 0.970824 kJ/[kg.K]
[Vapor Phase] Internal Energy -179476 kJ/kg
[Vapor Phase] Helmholtz Free Energy -179960 kJ/kg
[Vapor Phase] Gibbs Free Energy -207.718 kJ/kg
[Vapor Phase] Fugacity {0.507059; 0.504953; 0; 0}bar
[Vapor Phase] Fugacity Coefficient {1.00086; 0.9967; 1.00122;
0.999156}
[Vapor Phase] Activity Coefficient {1.36991E-08; 0.0396893; 2.19778E-
38; 0.000292012}
[Vapor Phase] Log Fugacity Coefficie... {0.000855989; -0.00330569;
0.00121643; -0.000844703}

Equilibrium Reactor: ER-002

Reactor: ER-002
Property Package: Peng-Robinson (PR)

Calculation Parameters

Calculation mode: Adiabatic

Pressure drop: 0 Pa

Results
 Outlet Temperature: 225 C
Initial Gibbs Free Energy Value: -207.718 kW
Final Gibbs Free Energy Value: -2012.48 kW

Reaction Extents

Water gas shift reaction: 1395.55

Compound Conversions

Carbon monoxide: 64.2301%

Water: 64.2301%

Material Stream: Vapour

Calculation results for Material Stream Vapour

Compounds: {Carbon monoxide; Water; Hydrogen; Carbon dioxide}
Specification: Temperature and Pressure
Temperature: 567.584133963822 C
Pressure: 1.01325 bar
Property Package: Peng-Robinson (PR)

Stream Temperature 567.584 C

Stream Pressure 1.01325 bar
Stream Enthalpy 849.686 kJ/kg
Stream Entropy 3.40453 kJ/[kg.K]

Vapor Phase Molar Fraction 1

Liquid Phase 1 Molar Fraction 0
Liquid Phase 2 Molar Fraction 0
Solid Phase Molar Fraction 0

[Vapor Phase] Mass Flow 3600.02 kg/h

[Vapor Phase] Molar Flow 156.437 kmol/h
[Vapor Phase] Volumetric Flow 10793.1 m3/h
[Vapor Phase] Phase Mole Fraction 1
[Vapor Phase] Phase Mass Fraction 1

[Vapor Phase] Carbon monoxide Mole F... 0.178849

[Vapor Phase] Water Mole Frac 0.178849
[Vapor Phase] Hydrogen Mole Frac 0.321151
[Vapor Phase] Carbon dioxide Mole Fr... 0.321151

[Vapor Phase] Carbon monoxide Mass F... 0.217688

[Vapor Phase] Water Mass Frac 0.140009
[Vapor Phase] Hydrogen Mass Frac 0.0281324
[Vapor Phase] Carbon dioxide Mass Fr... 0.614171

[Vapor Phase] Carbon monoxide Mole F... 27.9786 kmol/h

[Vapor Phase] Water Mole Flow 27.9786 kmol/h
[Vapor Phase] Hydrogen Mole Flow 50.2397 kmol/h
[Vapor Phase] Carbon dioxide Mole Fl... 50.2397 kmol/h

[Vapor Phase] Carbon monoxide Mass F... 783.681 kg/h

[Vapor Phase] Water Mass Flow 504.035 kg/h
[Vapor Phase] Hydrogen Mass Flow 101.277 kg/h
[Vapor Phase] Carbon dioxide Mass Fl... 2211.03 kg/h

[Vapor Phase] Molecular Weight 23.0126 kg/kmol

[Vapor Phase] Compressibility Factor 1.00013
[Vapor Phase] Isothermal Compressibi... -4.17309E-091/Pa
[Vapor Phase] Bulk Modulus -2396.31 bar
[Vapor Phase] Joule Thomson Coeffici... 6.98341E-06K/Pa
[Vapor Phase] Speed of Sound NaN m/s
[Vapor Phase] Volume 68.9932 m3/kmol
[Vapor Phase] Density 0.333549 kg/m3
[Vapor Phase] Viscosity 2.9639E-05Pa.s
[Vapor Phase] Thermal Conductivity 0.169395 W/[m.K]
[Vapor Phase] Heat Capacity Cp 1.69599 kJ/[kg.K]
[Vapor Phase] Heat Capacity Cv 1.33444 kJ/[kg.K]
[Vapor Phase] Enthalpy 849.686 kJ/kg
[Vapor Phase] Entropy 3.40453 kJ/[kg.K]
[Vapor Phase] Internal Energy -302929 kJ/kg
[Vapor Phase] Helmholtz Free Energy -305791 kJ/kg
[Vapor Phase] Gibbs Free Energy -2012.62 kJ/kg
[Vapor Phase] Fugacity {0.181289; 0.181151; 0.325483;
0.325454}bar
[Vapor Phase] Fugacity Coefficient {1.00038; 0.999622; 1.00024;
1.00015}
[Vapor Phase] Activity Coefficient {1.83816E-20; 0.000700896;
4.93526E-102; 7.69124E-09}
[Vapor Phase] Log Fugacity Coefficie... {0.000384449; -0.00037764;
0.000237552; 0.000148762}
Material Stream: Liquid

Calculation results for Material Stream Liquid

Compounds: {Carbon monoxide; Water; Hydrogen; Carbon dioxide}
Specification: Temperature and Pressure
Temperature: 567.584133963822 C
Pressure: 1.01325 bar
Property Package: Peng-Robinson (PR)

Stream Temperature 567.584 C

Stream Pressure 1.01325 bar
Stream Enthalpy 0 kJ/kg
Stream Entropy 0 kJ/[kg.K]

Vapor Phase Molar Fraction 0

Liquid Phase 1 Molar Fraction 0
Liquid Phase 2 Molar Fraction 0
Solid Phase Molar Fraction 0

Energy Stream: Energy

Energy Stream : Energy

Heat Flow: 0 kW