Carbon dioxide utilization in methanol synthesis plant: process modeling

Fereshteh Samimi; Mehrzad Feilizadeh; Seyedeh Bahareh Najibi; Mohammad Arjmand; Mohammad Reza Rahimpour

doi:10.1515/cppm-2020-0038

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Carbon dioxide utilization in methanol synthesis plant: process modeling

Fereshteh Samimi , Mehrzad Feilizadeh , Seyedeh Bahareh Najibi , Mohammad Arjmand and Mohammad Reza Rahimpour

Published/Copyright: November 2, 2020

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From the journal Chemical Product and Process Modeling Volume 16 Issue 4

Abstract

The conversion of CO₂ to methanol holds great promise, as it offers a pathway to reduce CO₂ level in the atmosphere and also produce valuable components. In this study, a typical methanol synthesis plant for CO₂ conversion was numerically modeled. Effect of fresh feed to plant parameters (i.e., pressure and CO₂ concentration) as well as the influence of recycle ratio on the reactor performance was investigated. Hence, all essential equipment, including compressor, mixer, heat exchanger, reactor, and liquid–vapor separator were considered in the model. Then, at the best operating conditions, thermal behavior and components distribution along the length and radius of the reactor were predicted. Finally, the effect of inert gases was investigated in the methanol production process and the results were compared with the conventional route (CR), which uses natural gas for methanol synthesis. The results revealed that in the absence of inert gases and by employing a recycle stream in the process, CO₂ hydrogenation leads to 13 ton/day production of methanol more than CR. While in the feedstock containing 20% inert gases, which is closer to the realistic case, methanol production rate is 45 ton/day lower than CR. These findings prospect a promising approach for the production of green methanol from carbon dioxide and hydrogen.

Keywords: CO2 hydrogenation; CO2 utilization; methanol synthesis plant; two-dimensional model

Corresponding author: Mohammad Reza Rahimpour, Department of Chemical Engineering, School of Chemical and Petroleum Engineering, Shiraz University, Shiraz 71345, Iran, E-mail: rahimpor@shirazu.ac.ir

Nomenclature

A _c: cross section area of reactor (m²)
A _s: heat transfer surface area of the heat exchanger (m²)
C _j: concentration of component j (mol m⁻³)
C _p: specific heat capacity (kJ kmol⁻¹ K⁻¹)
C _t: total concentration (mol m⁻³)
c: absolute velocity (m s⁻¹)
D: drag force, diameter (m)
D _jm: effective diffusivity of the component j (m² s⁻¹)
d _p: particle diameter (m)
d _r: length of differential element in the radial direction
d _z: length of differential element in the axial direction
E _i: activation energy for ith reaction (kJ kmol⁻¹)
f_j: fugacity of jth component (Pa)
g: gravitational acceleration (m s⁻²)
h: specific enthalpy (J kg⁻¹)
h _f: fluid heat transfer coefficient (W m⁻² K⁻¹)
h _r: step size in radial direction
h _z: step size in axial direction
k _i: rate constants for the ith reaction
k _eff: gas phase thermal conductivity (W m⁻¹ K⁻¹)
K_i: adsorption equilibrium constant
K_pi: equilibrium constants
m: nodes numerator in radial direction
m˙: mass flow rate (kg s⁻¹)
MW: molecular weight
n: nodes numerator in axial direction
P: pressure (Pa)
Q: volumetric flow rate (m³ s⁻¹)
Q˙: positive heat transfer (J s⁻¹)
q: number of reactions
R: gas constant (kJ kmol⁻¹ K⁻¹)
R _i: tube radius (m)
s: number of components
r _i: rate of reaction for ith reaction (mol kgcat⁻¹ s⁻¹)
T: temperature (K)
U: overall heat transfer coefficient (W m⁻² K⁻¹)
u _z: axial velocity (m s⁻¹)
W˙x: positive work being done (J s⁻¹)
y: mole fraction
z: reactor length
r: reactor radius

Greek letter
ν _ij: stoichiometric coefficient of component j in reaction i
φ _s: catalyst sphericity
φ: thiele modulus
τ: tortuosity
ρ _B: reactor bulk density (kg m⁻³)
ρ: density of gas phase (kg m⁻³)
ρ _p: catalyst density (kg m⁻³)
δ: reactor tube thickness (m)
η: effectiveness factor
η _c: efficiency of compressor
μ: gas viscosity (Pa. s)
γ: ratio of specific heats
Ω: speed of rotation
ε: bed porosity; heat transfer effectiveness
ε: bed porosity; heat transfer effectiveness
ΔH: heat of reaction (kJ kmol⁻¹)

Superscripts and subscripts
eff: effective
eq: equilibrium
FF: fresh feed
i: reaction index
j: component index
M: mixer
R: recycle
ref: reference
0: inlet condition

Abbreviation
BASF: Badische Anilin und Soda Fabrik
CR: conventional route
ICI: imperial chemical industry
MeOH: methanol
NTU: number of transfer units
PDE: partial differential equation
RWGS: reverse water gas shift
SN: stoichiometric number
WGS: water gas shift reaction

Author contribution: All the authors have accepted responsibility for the entire content of this submitted manuscript and approved submission.
Research funding: None declared.
Conflict of interest statement: The authors declare no conflicts of interest regarding this article.

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Received: 2020-04-27

Accepted: 2020-06-23

Published Online: 2020-11-02

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Articles in the same Issue

https://doi.org/10.1515/cppm-2020-0038

Keywords for this article

CO2 hydrogenation; CO2 utilization; methanol synthesis plant; two-dimensional model