Journal of Engineering (JOE) ISSN: 2325-0224 118

Vol. 2, No. 3, 2013, Pages: 118-122

Copyright World Science Publisher, United States
www.worldsciencepublisher.org

Simulation of Methanol Production from Synthesis Gas

Ruhul Amin1, Imran Hassan1, Avijit Das1, Fatima Enam1*, Taslima Rahman1, Tania Hossain1
1
Department of Chemical Engineering
Bangladesh University of Engineering and Technology, Dhaka-1000, Bangladesh
*Corresponding Author: fatima.enam@yahoo.com

Abstract: An innovative process scheme to produce methanol from carbon monoxide and carbon dioxide is presented
and accessed via simulation. In this configuration, the synthesis gas stream, composed by CO, CO 2, and H2 and fed to
the methanol synthesis reactor, is produced by means of a reverse-watergas-shift by which a CO stream is partially
converted in carbon dioxide. A simulation model is applied to define the proper operating conditions to achieve
synthesis gas composition targets. The simulation results show that the plant configuration represents a feasible way to
produce methanol using carbon dioxide, competitively with the traditional process in which the synthesis gas is
produced by a natural gas steam reforming unit. Plotted graphs show the dependency of simulation on variables
(temperature, pressure etc).This is useful to understand the changes that will occur if properties of each unit are changed.
Since pilot plants are expensive for this type of case, HYSYS gives us an opportunity to observe and realize the plant
and the process.

Keywords: Methanol; Synthesis Gas; Production of methanol; Purification; Simulation; Recycling

Journal of Engineering (JOE) ISSN: 2325-0224 119
Vol. 2, No. 3, 2013, Pages: 118-122
Copyright World Science Publisher, United States
www.worldsciencepublisher.org
1. Introduction The process chain for producing methanol is rather
simple including the following phases
Production of synthesis gas
The methanol industry spans the entire globe, with Conversion of synthesis gas to methanol and
production in Asia, North and South America, Europe, Distillation of the final product to obtain required
Africa and the Middle East. Worldwide, over 100 product specification [3].
methanol plants have a combined production capacity of
about 100 million metric tons (33 billion gallons or 125
billion liters), and each day more than 180,000 tons of 2.2 Production of synthesis gas
methanol is used as a chemical feedstock or as a
transportation fuel (60 million gallons or 225 million Synthesis gas is a fuel gas mixture consisting
liters). The global methanol industry generates $36 primarily of hydrogen, carbon monoxide, and very often
billion in economic activity each year, while creating some carbon dioxide. CO, CO2 and H2 produced from
over 100,000 jobs around the globe. various sources through steam reforming, partial
Methanol is produced naturally in oxidation, CO2 reforming auto thermal reforming [3].
the anaerobic metabolism of many varieties of bacteria, Originally, synthesis gas for the production of methanol
and is commonly present in small amounts in the came from coal. Today, synthesis gas is most commonly
environment. As a result, there is a small fraction of produced from the methane component in natural gas,
methanol vapor in the atmosphere. Over the course of because natural gas contains hydrogen. Three processes
several days, atmospheric methanol is oxidized with the are commercially practiced. At moderate pressures of
help of sunlight to carbon dioxide and water [1]. 4 MPa (40 atm) and high temperatures (around 850 C),
In a typical plant, methanol production is carried out methane reacts with steam on a nickel catalyst to produce
in three steps. The first step is to convert the feedstock synthesis gas according to the chemical equation:
natural gas into a synthesis gas stream consisting of CO, CH4 + H2O CO + 3 H2
CO2, H2O and hydrogen. This is usually accomplished by This reaction, commonly called steam-methane
the catalytic reforming of feed gas and steam. Partial reforming or SMR, is endothermic, and the heat transfer
oxidation is another possible route. The second step is the limitations place limits on the size of and pressure in the
catalytic synthesis of methanol from the synthesis gas. catalytic reactors used. Methane can also undergo partial
Each of these steps can be carried out in a number of oxidation with molecular oxygen (at atmospheric
ways and various technologies offer a spectrum of pressure) to produce synthesis gas, as the following
possibilities which may be most suitable for any desired equation shows:
application. And, the final step is distillation of the final 2 CH4 + O2 2 CO + 4 H2
product to obtain required product specification [2-4]. This reaction is exothermic, and the heat given off can
Computer based simulation has been popular now-a- be used in-situ to drive the steam-methane reforming
days for different chemical engineering purposes. reaction. When the two processes are combined, it is
Though our task was to represent production of methanol referred to as autothermal reforming. The high pressures
in renowned aspen HYSYS software, making some and high temperatures needed for steam-reforming
assumptions and using hypothetical reactors we have require a greater capital investment in equipment than is
performed the methanol production simulation. Though it needed for a simple partial oxidation process; however,
does not give the real world performance or the real life the energy-efficiency of steam-reforming is higher than
production environment, but it can give relief from for partial-oxidation, unless the waste-heat from partial-
making wide range of experiment without making the oxidation is used [5-6].
small scale reactors or plant. Here, a short literature In methanol synthesis, either CO or CO2 or both
review of methanol synthesis and its kinetics and hydrogenates to methanol. The reactions are [5]
modeling is presented. The simulators for the process are
developed based on the models from the literature. The CO + 2H2CH3OH (1)
simulators are used to evaluate the steady state behavior CO2+ 3H2 CH3OH + H2O (2)
of the process even though the mutual agreement about
the reaction mechanism has not been established and thus Also the water gas shift reaction may occur [7].The
the reliability of the results cannot be evaluated. The water gas shift reaction is
evaluation of the results will be carried out later when the CO + H2O CO2 + H2 (3)
applicability of the models found from the literature will
be studied with the process data.

2. Methodology
2.1 Process Description
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The production of methanol is strongly influenced by Mixer: Mixes two or more fluid stream input and
gives one output.
Heater: This unit heats up the feed to desired
temperature by specifying the pressure drop and outlet
5000 pressure.
Methanol synthesis reactor (MSR): It is an
4000 equilibrium reactor chosen from the library. It is used for
the equilibrium reaction sets only. This reactor is valid
3000 both for exothermic and endothermic reactions. It is also
q possible to maintain a constant temperature in the reactor
e2000 by removing or supplying heat.
K
Cooler: It is used to cool the process stream to desired
1000 temperature.
Separator: It is used for separating liquid and vapor
0 mixture in given process stream at a constant temperature
0 500 1000 or by inputting or removing heat. It is also possible to
-1000
add reaction sets here.
Temperature (C) Distillation column: It is the most versatile tool in
HYSYS. Any kind of distillation is possible in this unit.
Figure 02: Keq2 vs. Temperature plot It works by separating most volatile components from a
thermodynamics. The thermodynamic equilibrium limits process feed. [8]
the process to a low conversion and thus the recycling of
the outlet is required if a high conversion is desired. The
overall reaction is also strongly exothermic and thus a
significant cooling is required. The recycling and the
cooling are the main causes of the investment costs. The
methanol synthesis reactors have been designed based on
three principles- the high cooling demand, the low
pressure drop and the favourable economy of scale [2].
Equilibrium constant of reactions depend largely on
temperatures. For equation (1) and (2) equilibrium
constant vs. temperature graphs are shown:

1.00E-01

8.00E-02 Figure 03: Process Block Diagram

6.00E-02
2
3. Result and Discussions
q 4.00E-02
e
K After performing the simulation we found that the
2.00E-02 production of methanol (purity and production rate)
depends on different parameters of the process. So by
0.00E+00 controlling these parameters optimum methanol
0 200 400 600 8 00 1000 production can be obtained [11].
-2.00E-02
Temperat ure (C) From the simulation result we have observed the
effect of several parameters on the production. Those
effects are discussed below.
Figure 01: Keq1 vs. Temperature plot
The production of methanol from synthesis gas 3.1 Purity of methanol on Feed stage to
may take place under the low or high pressure. The high distillation
pressure process operates typically at 200 atm and 350C
while the low pressure process operates at 50 - 100 atm The relation between composition of methanol in final
and 220 - 250C. The low pressure process has such product and feed stage to distillation can be easily
economical and operational benefits that almost all the realized from the plot. purity of methanol increases in
methanol plants built after year 1967 operate at the low higher feed stage from top and reaches at maximum and
pressure [9]. then again decreases. For this synthesis, optimum feed
Some of the units used in HYSYS are given below: stage is the 6th stage.
 121

Composition of Methanol (%)

93.6
93.4
93.2
93
92.8
92.6
92.4
92.2
92
91.8
0 0.2 0.4 0.6 0.8 1
Fraction of Recycle
3.2 Conversion of CO and CO2 on reactor feed
Figure 04: Composition of methanol in product versus feed
temperature stage of distillation Table 06: Variation of purity of methanol with fraction of
recycle
3.4 Conversion of CO &CO2 on Feed pressure
Conversion of both carbon monoxide and carbon
dioxide both decrease with temperature increase [10].
But the reaction rate will be low at low temperature. Conversion of both CO and CO2 increases with feed
Considering these two contradicting aspects, the reaction pressure i.e. reactor pressure. But considering the safety
is carried out at 200oC. purpose and operational cost, optimum pressure is chosen
at 39.48 atm.

Figure 05: Conversion versus reactor feed temperature

Figure 07: Conversion of CO and CO2 versus reactor
pressure

3.3 Purity of distilled methanol on fraction of

3.5 Purity of methanol on separator feed
recycle
temperature
Purity of methanol increases with increase in fraction
of recycle. But there may be inerts present in the feed and Distilled methanol purity increases with increase in
to control the buildup of inert in the product, some separator feed temperature. But after a certain
reactor outlet has to be purged after separation and before temperature, it becomes constant.
recycle.

.
 122

Methanol synthesis is an important chemical process.

In our paper, we have generated data based on the
simulation performed in HYSYS. This data can help us
understand the process in various situations in industrial
practice. By varying the different parameters in this
simulation environment, the effects of these parameters
on methanol production are observed and the results are
shown in graphical and form. Using the plots, the
optimum conditions for methanol production can be
easily found out.
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