Abstract
A process model was developed to simulate the generation of ethanol or acetic acid by selectively using syngas from coke oven gas as the carbon source. The simulation involved three reactors: the first reactor converts syngas into dimethyl ether over a hybrid Cu/ZnO/Al2O3/ferrierite catalyst; in the second reactor, carbonylation of dimethyl ether to methyl acetate takes place. The kinetic parameters for the carbonylation reaction were estimated by fitting the model to the experimental results. The third reactor uses the hydrogenation or hydrolysis of the methyl acetate to selectively synthesize ethanol or acetic acid, respectively. In the integrated process, a recycling loop was introduced, and its effects on the conversion, carbon molar yield, energy consumption, and capital and utility costs were evaluated. The results show that the recycling loop could enhance the carbon molar yield by approximately 20 times compared to that in the open-loop case owing to the high overall conversion (91–97%) of dimethyl ether in the second reactor.
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Abbreviations
- ci :
-
concentration of species i [mol/m3]
- Cp :
-
heat capacity at constant pressure [J/(kg·K)]
- Dt :
-
tube diameter [m]
- E:
-
activation energy [J/mol]
- Fobj :
-
objective function
- ΔH:
-
heat of reaction [J/mol]
- kj :
-
reaction rate constant for reaction j
- Kj :
-
reaction equilibrium constant for reaction j
- L:
-
length of the reactor [m]
- NE:
-
number of experimental conditions
- NR:
-
number of reactions
- R:
-
reaction rate [mmol/(gcat·h)]
- us :
-
gas velocity [m/s]
- U:
-
overall heat transfer coefficient [W/(m2·K)]
- T:
-
temperature [K]
- Tw :
-
wall temperature [K]
- ρ B :
-
Bulk pellet density [kg/m3]
- ρ g :
-
Bulk gas density [kg/m3]
- calc:
-
calculated values
- exp:
-
experimental data
- i:
-
species
- in:
-
inlet conditions
- j:
-
reactions
- ref:
-
reference
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Acknowledgement
This research was supported by the C1 Gas Refinery Program through the National Research Foundation of Korea (NRF), funded by the Ministry of Science, ICT, & Future Planning (No. NRF2021 M3D3A1A01082822, No. NRF2018M3D3A1A01018009).
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Process modeling of syngas conversion to ethanol and acetic acid via the production of dimethyl ether and its carbonylation
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Kim, S., Jung, H.S., Lee, W.B. et al. Process modeling of syngas conversion to ethanol and acetic acid via the production of dimethyl ether and its carbonylation. Korean J. Chem. Eng. 39, 3204–3213 (2022). https://doi.org/10.1007/s11814-022-1297-7
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DOI: https://doi.org/10.1007/s11814-022-1297-7