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DWSIM Flowsheeting Abstract

This document discusses the optimization of methanol synthesis through CO2 hydrogenation, focusing on a process using a plug flow reactor to convert CO2 and hydrogen into methanol. The study employs simulation and optimization techniques to maximize profit while achieving high purity methanol production. Results indicate significant conversion rates and optimal operating conditions that enhance the profitability of the methanol production plant.

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Kaleem Ullah
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14 views3 pages

DWSIM Flowsheeting Abstract

This document discusses the optimization of methanol synthesis through CO2 hydrogenation, focusing on a process using a plug flow reactor to convert CO2 and hydrogen into methanol. The study employs simulation and optimization techniques to maximize profit while achieving high purity methanol production. Results indicate significant conversion rates and optimal operating conditions that enhance the profitability of the methanol production plant.

Uploaded by

Kaleem Ullah
Copyright
© © All Rights Reserved
We take content rights seriously. If you suspect this is your content, claim it here.
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Download as PDF, TXT or read online on Scribd
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Optimisation of Methanol Synthesis by CO2 Hydrogenation

Chikamso Anthony Nwani


Department of Chemical and Petroleum Engineering
University of Lagos, Nigeria

Background & Description:

Carbon dioxide (CO2) is one of greenhouse gases, which can cause global warming. To combat the problem of CO2
emissions, present day studies show that methanol show be considered as a suitable product because of its use in various
petroleum based-liquid fuels.
Here, simulation carried out for a process which converts hydrogenates CO2 into methanol. A plug flow reactor (PFR) is
used to react hydrogen with the carbon dioxide in the synthesis gas to produce methanol.
The traditional syngas process has been explored exhaustively in literature and to make methanol production via CO2
hydrogenation a competitive process, the optimal operating conditions with minimum production cost are considered. This
new process can be considered a green process because it uses CO2 obtained from thermal plants, stacks etc as the raw
material contributing to the mitigation of CO2 emissions. This thesis studied optimization of methanol production via CO2
hydrogenation using multiple design variables. The objective function of this optimization was to maximize the profit of
methanol production.

Flowsheet Description
Here, fixed amounts of CO2 and hydrogen in different streams is used for feed. In process, “Peng-Robinson” property model
is used. Vanden Bussche and Froment’s (Vanden Bussche, et al., 1996) kinetic model was used taking only the water-gas-
shift reaction and the CO2 hydrogenation into consideration. The process can be divided into four sections:
(1) Compression and Reactor Preheating
(2) Reactor (PFR)
(3) Separator, Recycle, and Vent
(4) Flash and Distillation
𝐶𝑂 + 2𝐻2 ↔ 𝐶𝐻3 𝑂𝐻 ∆𝐻298 = −90𝑘𝐽/𝑚𝑜𝑙
𝐶𝑂2 + 3𝐻2 ↔ 𝐶𝐻3 𝑂𝐻 + 𝐻2 𝑂 ∆𝐻298 = −49.47𝑘𝐽/𝑚𝑜𝑙
𝐶𝑂2 + 𝐻2 ↔ 𝐶𝑂 + 𝐻2 𝑂 ∆𝐻298 = +41𝑘𝐽/𝑚𝑜𝑙
In this process, the feed of 1,000 kmoles per hour of carbon dioxide at 40◦C and 20 bar was mixed with the 3,000 kmoles per
hour of hydrogen (at the same conditions). The mixture was then compressed, heated and sent to the first equilibrium reactor.
The first reactor partially converted CO2to methanol as liquid product. The unreacted CO2 and H2 then entered the second
equilibrium reactor to produce more methanol product. The pressure of gas phase leaving the second reactor was reduced to
recover methanol as liquid phase. All liquid methanol products were sent to the first distillation column, where the light
components (CO, CO2, and H2) leaved at the top of the column. The mixture of methanol and water leaved the column at the
bottom and entered the second distillation column, where the methanol product with purity of 99.5%mole was obtained at the
top of the column. The efficiency of the pumps and compressors was assumed at 75% (adiabatic). The specifications of the
shortcut column were condenser temperature at 40.1◦C and reflux ratio at 0.5. The specifications of the methanol distillation
column was set at 99 %mole methanol product purity.
Flowsheet:

Optimisation of Methanol Synthesis by CO2 Hydrogenation

Results:

• From the simulation, high pure methanol is obtained about (99%) at rate of 27 kg/hr as a top
• product and water as bottom product at rate of 47.5 kg/h.
• In the plug flow reactor (PFR), about 57% and 19% conversion of carbon monoxide and carbon dioxide is achieved
respectively.

The Nelder-Mead simplex constrained solving method was applied to optimize the objective function model for the
maximum generated profit. In the optimal region of study, the inlet pressure of the hydrogen stream, inlet pressure and
temperature to the reactor show significant impacts on the methanol production rate. The obtained maximized methanol
production plant profit from a base value of Current value of $1068.65 was $1460.12/hr of produced methanol
The objective function is thus given as

𝑀𝑎𝑥 𝑃 = 𝐶𝑀𝑒𝑂𝐻 𝑃𝑀𝑒𝑂𝐻 + 𝐶𝑣𝑒𝑛𝑡 𝑃𝑉𝑒𝑛𝑡 + 𝐶𝑝𝑢𝑟𝑔𝑒 𝑃𝑃𝑢𝑟𝑔𝑒 − 𝐶𝐻2 𝑃𝐻2 − 𝐶𝐶𝑂2 𝑃𝐶𝑂2 − ∑ 𝐶𝐶𝑊 𝑃𝐶𝑊

𝑃 = 0.343 ∗ 𝑥1 + 0.24 ∗ 𝑥2 + 8.14 ∗ 𝑥3 − 1.88 ∗ 𝑥4 − 3.5 ∗ 𝑥5 − 0.1 ∗ (𝑐𝑤1 + 𝑐𝑤2 + 𝑐𝑤3 + 𝑐𝑤4)
Table 1: shows the constraints and initial value to maximize the profit ($/hr) generated from the methanol
production plant via CO2 hydrogenation.

Name Object Lower Limit Upper Limit Initial Value Unit


x1 Methanol Product 40 100 48.0074 kg/h
x2 Vent 20 50 25.1293 kg/h
x3 Purge gases 400 500 453.376 kg/h
x4 HYDROGEN 100 400 105.46 kg/h
x5 CO2 200 400 258.646 kg/h
cw1 MSTR-013 3500 4000 3600 kg/h
cw2 MSTR-020 3500 4000 3600 kg/h
cw3 MSTR-029 3500 4000 3600 kg/h
cw4 MSTR-047 3500 4000 3600 kg/h

Table 2 shows the local optimal operating conditions to maximize the profit ($/hr) generated from the
methanol production plant via CO2 hydrogenation.

Parameters Optimal values Units


Methanol Product, x1 99.99 Kg/hr
Vent stream, x2 22.215 Kg/hr
Purge stream, x3 456.89 Kg/hr
H2 stream, x4 105.46 Kg/hr
CO2 stream, x5 256.646 Kg/hr
Cooling water, cw1 3600 Kg/hr
Cooling water, cw2 3600 Kg/hr
Cooling water, cw3 3600 Kg/hr
Cooling water, cw4 3600 Kg/hr

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