Process Simulation - Unit Operations - Pure Component

Beta Version

Calculate Stream 1 Properties

Component Select Methane Ethane Propane i-Butane n-Butane i-Pentane n-Pentane n-Hexane n-Heptane Ethylene Propylene
Molecular Weight, MW    kg/kmol
Critical Temperature, Tc    K
Critical Pressure, Pc    kPa
Acentric factor, Omega   
Ideal gas molar heat capacity constant A, CP_IG_A    kJ/(kmol K)
Ideal gas molar heat capacity constant B, CP_IG_B    kJ/(kmol K)
Ideal gas molar heat capacity constant C, CP_IG_C    kJ/(kmol K)
Ideal gas molar heat capacity constant D, CP_IG_D    kJ/(kmol K)
Atmospheric Pressure, Pa    kPa
Mass flow rate, mf    kg/hr

State 1

Pressure, P1g    kPag
Temperature, T1C    deg.C
Molar Vapour Fraction1 for saturated condition only, VF1   
Prelim Sat Press at temp T1C (Antoine Eqn), P1g_sat1_Ant    kPag
Guess Pressure1, low end of range, P1g_sat1    kPag
Guess Pressure2, high end of range, P1g_sat2    kPag
Verification1_1
Saturation Pressure at temperature T1C, P1g_sat1f    kPag
Fluid State at Condition1, FS1   
Compressibility Factor for vapour, ZV1
Compressibility Factor for liquid, ZL1
Enthalpy Departure Function1, H_Dep1    kJ/kmol
Entropy Departure Function1, S_Dep1    kJ/(kmol * K)

State 2

Pressure, P2g    kPag
Temperature, T2C    deg.C
Molar Vapour Fraction2 for saturated condition only, VF2
Prelim Sat Press at temp T2C (Antoine Eqn), P2g_sat2_Ant    kPag
Guess Pressure1, low end of range, P2g_sat1    kPag
Guess Pressure2, high end of range, P2g_sat2    kPag
Verification1_2
Saturation Pressure at temperature T2C, P2g_sat2f    kPag
Fluid State at Condition2, FS2   
Compressibility Factor, ZV2
Compressibility Factor, ZL2
Enthalpy Departure Function2, H_Dep2    kJ/kmol
Entropy Departure Function2, S_Dep2    kJ/(kmol * K)

State 1-2 (Ideal Gas)

Enthalpy Difference - Ideal Gas, dH_ideal_12    kJ/kmol
Entropy Difference - Ideal Gas, dS_ideal_12    kJ/(kmol * K)

Total Change State 1-2

Total Enthalpy Change State 1-2, dH_12    kJ/kmol
Total Entropy Change State 1-2, dS_12    kJ/(kmol * K)
Verification

Calculate Saturation Pressure at temperature T1C

Temperature, T1C    deg.C
Prelim Sat Press at temp T1C (Antoine Eqn), P1g_sat1_Ant    kPag
Guess Pressure1, low end of range, P1g_sat1    kPag
Guess Pressure2, high end of range, P1g_sat2    kPag
Saturation Pressure at temperature T1C, P1g_sat1f    kPag
Verification1

Calculate Saturation temperature at pressure P1g

Pressure, P1g    kPag
Prelim Sat Temp at Pressure P1g (Antoine Eqn), T1C_sat1_Ant    deg.C
Guess Temperature1, low end of range, T1C_sat1    deg.C
Guess Temperature2, high end of range, T1C_sat2    deg.C
Saturation temperature at pressure P1g, T1C_sat1f    deg.C
Verification2

Calculate temperature at pressure P2g and constant enthalpy, T2C_ch

State 1

Pressure, P1g    kPag
Temperature, T1C    deg.C
Molar Vapour Fraction1 for saturated condition only, VF1   
Prelim Sat Press at temp T1C (Antoine Eqn), P1g_sat1_Ant    kPag
Guess Pressure1, low end of range, P1g_sat1    kPag
Guess Pressure2, high end of range, P1g_sat2    kPag
Saturation Pressure at temperature T1C, P1g_sat1f    kPag
Enthalpy Departure Function at State1, H_Dep_1    kJ/kmol
Fluid State at Condition1, FS1   
Verification3_1

State 2

Calculate Saturation temperature at pressure P2g

Pressure, P2g    kPag
Prelim Sat Temp at Pressure P2g (Antoine Eqn), T2C_sat2_Ant    deg.C
Guess Temperature1, low end of range, T2C_sat1    deg.C
Guess Temperature2, high end of range, T2C_sat2    deg.C
Saturation temperature at pressure P2g, T2C_sat2f    deg.C
Verification3_2

Find Fluid State at Condition 2

Compressibility Factor, ZV2
Compressibility Factor, ZL2
Enthalpy Departure Function of Liquid at State2, H_Dep_2L    kJ/kmol
Enthalpy Departure Function of Vapour at State2, H_Dep_2V    kJ/kmol
Fluid State at Condition2, FS2   
Molar Vapour Fraction2, VF2   
Verification3_3

State 2 - constant enthalpy

Pressure, P2g    kPag
Guess Temperature1, T2C_ch21    deg.C
Guess Temperature2, T2C_ch22    deg.C
Temperature at pressure P2g and constant enthalpy, T2C_chf    deg.C
Total Enthalpy Change State 1-2, dH_12_chf    kJ/kmol
Verification3_4

Calculate compression hp, CP

State 1

Mass flow rate, mf    kg/hr
Pressure, P1g    kPag
Temperature, T1C    deg.C
Prelim Sat Press at temp T1C (Antoine Eqn), P1g_sat1_Ant    kPag
Guess Pressure1, low end of range, P1g_sat1    kPag
Guess Pressure2, high end of range, P1g_sat2    kPag
Verification4_1
Saturation Pressure at temperature T1C, P1g_sat1f    kPag
Fluid State at Condition1, FS1   
Verification4_2

State 2 - constant entropy

Pressure, P2g    kPag
Guess Temperature1, T2C_cs21    deg.C
Guess Temperature2, T2C_cs22    deg.C
Temperature at pressure P2g and constant entropy, T2C_csf    deg.C
Total Enthalpy Change State 1-2s, dH_12_csf    kJ/kmol
Verification4_3
Adiabatic efficiency (fraction), AE

State 2 - With Adiabatic efficiency

Total Enthalpy Change State 1-2_AE, dH_12_AE    kJ/kmol
Guess Temperature1, T2C_ch31    deg.C
Guess Temperature2, T2C_ch32    deg.C
Temp at pressure P2g and enth chg dH_12_AE, T2C_ch3f    deg.C
Compression horse power, CP    kW
Verification4_4

Calculate Pump hp, PP

State 1

Mass flow rate, mf    kg/hr
Pressure, P1g    kPag
Temperature, T1C    deg.C
Prelim Sat Press at temp T1C (Antoine Eqn), P1g_sat1_Ant    kPag
Guess Pressure1, low end of range, P1g_sat1    kPag
Guess Pressure2, high end of range, P1g_sat2    kPag
Verification5_1
Saturation Pressure at temperature T1C, P1g_sat1f    kPag
Fluid State at Condition1, FS1   
Verification5_2

State 2 - constant entropy

Pressure, P2g    kPag
Guess Temperature1, T2C_cs21    deg.C
Guess Temperature2, T2C_cs22    deg.C
Temperature at pressure P2g and constant enthalpy, T2C_csf    deg.C
Total Enthalpy Change State 1-2s, dH_12_csf    kJ/kmol
Verification5_3
Adiabatic efficiency (fraction), AE

State 2 - With Adiabatic efficiency

Total Enthalpy Change State 1-2_AE, dH_12_AE    kJ/kmol
Guess Temperature1, T2C_ch31    deg.C
Guess Temperature2, T2C_ch32    deg.C
Temp at pressure P2g and enth chg dH_12_AE, T2C_ch3f    deg.C
Pump horse power, PP    kW
Verification5_4

Calculate expander hp, EP

State 1

Mass flow rate, mf    kg/hr
Pressure, P1g    kPag
Temperature, T1C    deg.C
Prelim Sat Press at temp T1C (Antoine Eqn), P1g_sat1_Ant    kPag
Guess Pressure1, low end of range, P1g_sat1    kPag
Guess Pressure2, high end of range, P1g_sat2    kPag
Verification6_1
Saturation Pressure at temperature T1C, P1g_sat1f    kPag
Fluid State at Condition1, FS1   
Verification6_2

State 2 - constant entropy

Pressure, P2g    kPag
Guess Temperature1, T2C_cs21    deg.C
Guess Temperature2, T2C_cs22    deg.C
Temperature at pressure P2g and constant entropy, T2C_csf    deg.C
Total Enthalpy Change State 1-2s, dH_12_csf    kJ/kmol
Verification6_3
Adiabatic efficiency (fraction), AE

State 2 - With Adiabatic efficiency

Total Enthalpy Change State 1-2_AE, dH_12_AE    kJ/kmol
Guess Temperature1, T2C_ch31    deg.C
Guess Temperature2, T2C_ch32    deg.C
Temp at pressure P2g and enth chg dH_12_AE, T2C_ch3f    deg.C
Expander horse power, EP    kW
Verification6_4

Calculate heat duty, Qh

Mass flow rate, mf    kg/hr

State 1

Pressure, P1g    kPag
Temperature, T1C    deg.C
Prelim Sat Press at temp T1C (Antoine Eqn), P1g_sat1_Ant    kPag
Guess Pressure1, low end of range, P1g_sat1    kPag
Guess Pressure2, high end of range, P1g_sat2    kPag
Molar Vapour Fraction1 for saturated condition only, VF1   
Verification7_1
Saturation Pressure at temperature T1C, P1g_sat1f    kPag
Fluid State at Condition1, FS1   

State 2

Pressure, P2g    kPag
Temperature, T2C    deg.C
Prelim Sat Press at temp T2C (Antoine Eqn), P2g_sat2_Ant    kPag
Guess Pressure1, low end of range, P2g_sat1    kPag
Guess Pressure2, high end of range, P2g_sat2    kPag
Molar Vapour Fraction2 for saturated condition only, VF2   
Verification7_2
Saturation Pressure at temperature T2C, P2g_sat2f    kPag
Fluid State at Condition2, FS2   

Total Change State 1-2

Total Enthalpy Change State 1-2, dH_12    kJ/kmol
Heat duty from State 1 to State 2, Qh    kW
Verification7_3

Calculate cooling duty, Qc

Mass flow rate, mf    kg/hr

State 1

Pressure, P1g    kPag
Temperature, T1C    deg.C
Prelim Sat Press at temp T1C (Antoine Eqn), P1g_sat1_Ant    kPag
Guess Pressure1, low end of range, P1g_sat1    kPag
Guess Pressure2, high end of range, P1g_sat2    kPag
Molar Vapour Fraction1 for saturated condition only, VF1   
Verification8_1
Saturation Pressure at temperature T1C, P1g_sat1f    kPag
Fluid State at Condition1, FS1   

State 2

Pressure, P2g    kPag
Temperature, T2C    deg.C
Prelim Sat Press at temp T2C (Antoine Eqn), P2g_sat2_Ant    kPag
Guess Pressure1, low end of range, P2g_sat1    kPag
Guess Pressure2, high end of range, P2g_sat2    kPag
Molar Vapour Fraction2 for saturated condition only, VF2   
Verification8_2
Saturation Pressure at temperature T2C, P2g_sat2f    kPag
Fluid State at Condition2, FS2   

Total Change State 1-2

Total Enthalpy Change State 1-2, dH_12    kJ/kmol
Cooling duty from State 1 to State 2, Qc    kW
Verification8_3

Calculate enthalpy of vaporization at temperature T1C and pressure P1g_sat1f, dH_vap_P1g_sat1f

Temperature, T1C    deg.C
Prelim Sat Press at temp T1C (Antoine Eqn), P1g_sat1_Ant    kPag
Guess Pressure1, low end of range, P1g_sat1    kPag
Guess Pressure2, high end of range, P1g_sat2    kPag
Saturation Pressure at temperature T1C, P1g_sat1f    kPag
Verification9_1
Compressibility Factor, ZV1
Compressibility Factor, ZL1
Enthalpy departure function of vapour at State 1, H_Dep_1V    kJ/kmol
Enthalpy departure function of liquid at State 1, H_Dep_1L    kJ/kmol
Enthalpy of vaporization at temperature T1C and pressure P1g_sat1f, dH_vap_P1g_sat1f
   kJ/kg
Verification9_2

Calculate enthalpy of vaporization at pressure P1g and temperature T1C_sat1f, dH_vap_T1C_sat1f

Pressure, P1g    kPag
Prelim Sat Temp at Pressure P1g (Antoine Eqn), T1C_sat1_Ant    deg.C
Guess Temperature1, low end of range, T1C_sat1    deg.C
Guess Temperature2, high end of range, T1C_sat2    deg.C
Saturation temperature at pressure P1g, T1C_sat1f    deg.C
Verification10_1
Compressibility Factor, ZV1_T1C_sat1f
Compressibility Factor, ZL1__T1C_sat1f
Enthalpy departure function of vapour at State 1_V2, H_Dep1_V2    kJ/kmol
Enthalpy departure function of liquid at State 1_L2, H_Dep1_L2    kJ/kg
Enthalpy of vaporization at temperature T1C and pressure P1g_sat1f, dH_vap_T1C_sat1f
   kJ/kmol
Verification10_2

Calculate temperature at second stream outlet in a heat exchanger, T4C

Step1 - First / Main Section need to be converged and solved for Stream1.

Step2

Component2 Select Methane Ethane Propane i-Butane n-Butane i-Pentane n-Pentane n-Hexane n-Heptane Ethylene Propylene
Molecular Weight, MW2    kg/kmol
Critical Temperature, Tc2    K
Critical Pressure, Pc2    kPa
Acentric factor, Omega2   
Ideal gas molar heat capacity constant A, CP_IG_A2    kJ/(kmol K)
Ideal gas molar heat capacity constant B, CP_IG_B2    kJ/(kmol K)
Ideal gas molar heat capacity constant C, CP_IG_C2    kJ/(kmol K)
Ideal gas molar heat capacity constant D, CP_IG_D    kJ/(kmol K)
Atmospheric Pressure, Pa    kPa
Mass flow rate, mf2    kg/hr

State 3

Pressure, P3g    kPag
Temperature, T3C    deg.C
Prelim Sat Press at temp T3C (Antoine Eqn), P3g_sat_Ant    kPag
Guess Pressure1, low end of range, P3g_sat1    kPag
Guess Pressure2, high end of range, P3g_sat2    kPag
Molar Vapour Fraction1 for saturated condition only, VF3   
Verification11_1
Saturation Pressure at temperature T3C, P3g_sat_f    kPag
Fluid State at Condition3, FS3   
Compressibility Factor for vapour, ZV3
Compressibility Factor for liquid, ZL3
Enthalpy Departure Function1, H_Dep3    kJ/kmol

State 4 - Guess temperature - low end

Pressure, P4g    kPag
Guess Temperature1, low end of range, T4C_hx41    deg.C
Prelim Sat Press at temp T4C_hx41 (Antoine Eqn), P4g_sat41_Ant    kPag
Guess Pressure1, low end of range, P4g_sat41_1    kPag
Guess Pressure2, high end of range, P4g_sat41_2    kPag
Molar Vapour Fraction41 for saturated condition only, VF41   
Verification11_2
Saturation Pressure at temperature T4C_hx41, P4g_sat41f    kPag
Fluid State at Condition41, FS41   
Compressibility Factor for vapour, ZV41
Compressibility Factor for liquid, ZL41
Enthalpy Departure Function1, H_Dep_hx41    kJ/kmol
Difference between Enthalpy Change, dH_1_2 and Enthalpy Change, dH_3_41 (Target zero), dH_diff1    kJ/kmol

State 4 - Guess temperature - high end

Pressure, P4g    kPag
Guess Temperature2, high end of range, T4C_hx42    deg.C
Prelim Sat Press at temp T4C_hx42 (Antoine Eqn), P4g_sat42_Ant    kPag
Guess Pressure1, low end of range, P4g_sat42_1    kPag
Guess Pressure2, high end of range, P4g_sat42_2    kPag
Molar Vapour Fraction42 for saturated condition only, VF42   
Verification11_3
Saturation Pressure at temperature T4C_hx22, P4g_sat42f    kPag
Fluid State at Condition42, FS42   
Compressibility Factor for vapour, ZV42
Compressibility Factor for liquid, ZL42
Enthalpy Departure Function2, H_Dep_hx42    kJ/kmol
Difference between Enthalpy Change, dH_1_2 and Enthalpy Change, dH_3_42 (Target zero), dH_diff2    kJ/kmol

State 4 - Calculated average temperature

Pressure, P4g    kPag
Average Guessed Temperature - calculated, T4C_hx43    deg.C
Prelim Sat Press at temp T4C_hx3 (Antoine Eqn), P4g_sat43_Ant    kPag
Guess Pressure1, low end of range, P4g_sat43_1    kPag
Guess Pressure2, high end of range, P4g_sat43_2    kPag
Molar Vapour Fraction3 for saturated condition only, VF43   
Verification11_4
Saturation Pressure at temperature T4C_hx3, P4g_sat43f    kPag
Fluid State at Condition4, FS43   
Compressibility Factor for vapour, ZV43
Compressibility Factor for liquid, ZL43
Enthalpy Departure Function1, H_Dep_hx43    kJ/kmol
Difference between Enthalpy Change, dH_1_2 and Enthalpy Change, dH_3_43 (Target zero), dH_diff3    kJ/kmol

Temperature at pressure P4g and heat exchange, T4C_hxf    deg.C
Temperature Cross
Verification11_5

Note: If solutions do not converge, vary/narrow both pressure and temperature boundaries and resolve.
Note: dH_diff1 and dH_diff2 must have opposite signs, and preferably closer to zero.