Electronic Supplementary Information

Simulation and optimization of distillation processes for separating a

close-boiling mixture of n-butanol / isobutanol

Xiaoxin Gao,a,b,* Zhengfei Ma,b, Limin Yang a

a. School of Petrochemical Engineering, Changzhou University, ChangZhou 213164, P. R. China

b. College of Chemistry and Chemical Engineering, Nanjing Technology University, Nanjing
210009, P. R. China
Corresponding author, e-mail: gaoxiaoxin@163.com

Table S1. The main parameters at 80 kPa for the conventional distillation
Parameters Value
Number of stages 61
Feed stage 36
Reflux ration 5.83
Column pressure drop (kPa) 40
Distillation flow rate (kg/h) 2250
Column top temperature (℃) 101.5
Bottom column temperature (℃) 122.5
Qc (kW) 2457.47
Qr (kW) 2396.97
Steam (t/h) 3.96
Cooling water (t/h) 422.89
Cooling water cost ($103/year) 416.39
Steam heating cost ($103/year) 975.42
Operation cost ($103/year) 1391.81

Table S2. The mass balance and heat balance at 80 kPa for the conventional distillation
Variable FEED ISOBUTANOL N-BUTANOL
Temperature (℃) 113.5 101.5 122.5
Pressure (kPa) 105 80 84.08
Mass flow (kg/h) 5000 2250 2750
Isobutanol (mass fraction) 0.45 0.99 0.008
N-butanol (mass fraction) 0.55 0.01 0.992
Enthalpy (kW) -5757.38 -2668.59 -3149.29

Table S3. The mass balance and heat balance at 90 kPa for the top MVRHP distillation
Variable FEED V VH 3 4
Temperature (℃) 134 104 129.1 129.1 104.5
Pressure (kPa) 200 90 243 243 90
Mass flow (kg/h) 5000 15609.7 15609.7 15609.7 15609.7
Isobutanol (mass fraction) 0.45 0.99 0.99 0.01 0.01
N-butanol (mass fraction) 0.55 0.01 0.01 0.99 0.99
Enthalpy (kW) -5667.7 -15999.7 -15805.7 -18113 -18469.7

Variable ISOBUTANOL RECYCLE N-BUTANOL

Temperature (℃) 104.5 104.5 115.6
Pressure (kPa) 90 90 94
Mass flow (kg/h) 2250 13359.7 2750
Isobutanol (mass fraction) 0.99 0.99 0.01
N-butanol (mass fraction) 0.01 0.01 0.99
Enthalpy (kW) -2662.23 -15807.4 -3168.1

Table S4. The mass balance and heat balance at 80 kPa for the bottom flashing MVRHP
distillation
Variable FEED 1 2 N-BUTANOL 3
Temperature (℃) 134 122.54 122.54 122.5 91.1
Pressure (kPa) 200 120 120 120 36
Mass flow (kg/h) 5000 17822.6 15072.6 2750 15072.6
Isobutanol (mass fraction) 0.45 0.01 0.01 0.01 0.01
N-butanol (mass fraction) 0.55 0.99 0.99 0.99 0.99
Enthalpy (kW) -5667.7 -20410.6 -17261.3 -3149.33 -17261.3

Variable 4 5 6 7 RECYCLE ISOBUTANOL

Temperature (℃) 91.1 122.4 101.5 101.5 101.44 101.44
Pressure (kPa) 36 129.6 80 80 80 80
Mass flow (kg/h) 15072.6 15072.6 15948.7 15948.7 13698.7 2250
Isobutanol (mass fraction) 0.01 0.01 0.99 0.99 0.99 0.99
N-butanol (mass fraction) 0.99 0.99 0.01 0.01 0.01 0.01
Enthalpy (kW) -15100.7 -14865.4 -16371 -18917.3 -16248.5 -2668.81