Abstract
In this study, a detailed rigorous kinetic model is proposed for the industrial production of methanol taking into account changes in total mole flowrate. The kinetic model proposed is compared with the one proposed in literature (Rezaie et al., Chem Eng Process Process Intensification 2005;44:911–21), showing significant differences in terms of compositions and total mole flow. A complete simulation of the methanol production process is developed with a commercial software. The rigorous reactor model is integrated in the simulation using the CAPE OPEN standard. Flowsheet simulation is carried out, and results show small differences with those found in previous studies (Luyben, Ind Eng Chem Res 2010;49:6150–63).
Acknowledgements
The authors gratefully acknowledge Jasper van Baten comments and support when dealing with the implementation of Matlab model into process simulation software.
Nomenclature
εB | Bed porosity |
Ct | Total mole concentration |
yis | Molar fraction of i component in the solid phase |
kgi | Mass-transfer component of i component |
yi | Molar fraction of i component in the gas phase |
η | Effectiveness factor |
ri | Reaction rate of i component |
ρB | Bed density |
a | Catalytic activity |
Cps | Heat capacity of solid phase |
av | Catalyst surface area |
hf | Heat-transfer coefficient |
Ts | Temperature of the solid phase |
T | Temperature of the gas phase |
ΔHfi | Enthalpy of formation of component i |
Ft | Total mole flowrate |
Ac | Cross-section area of each tube |
Di | Tube diameter |
Ushell | Overall heat-transfer coefficient |
Tshell | Shell side temperature |
L | Length of reactor |
Re | Reynolds number |
Dp | Particle diameter |
ug | Gas velocity |
ρg | Gas density |
Wt | Total mass flow |
wi | Mass fraction of component i |
Mi | Molecular weight of component i |
ki | Reaction rate constant for the ith rate equation |
Ki | Adsorption equilibrium constant for component i |
Kpi | Equilibrium constant based on partial pressure for component i |
N | Number of components |
P | Total pressure |
Sci | Schmidt number for component i |
hi | Tube side individual heat-transfer coefficient |
ho | Shell side individual heat-transfer coefficient |
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