PRELIMINARY PROCESS SYNTHESIS

1.1 Preliminary Database Creation

After completed the studies on the initial assessment of the requirements for a process design,
and the literature search for the most promising reaction pathway of methanol production, the
design team will have to assemble a preliminary database, implement the steps in creating
preliminary flowsheet, identify the principal equipment and create a block flow diagram
(BFD) for the process with a list of major equipment.

1.2 Thermophysical Property Data

The thermophysical property data is the material properties that vary with temperature
without altering the material's chemical identity. These properties include boiling point,
melting point, critical temperature, critical pressure, molecular weight, enthalpy of fusion,
enthalpy of vaporization and heat capacity.
 Table 2.1: Thermophysical Property Data of Reactants and Products Involved (LENNTECH, 2017; PubChem, 2017; Haynes et
al., 2015)
Molecular Enthalpy of Enthalpy of Enthalpy of
Reactant/ Chemical
Weight Tm (oC) Tb (oC) Tc (oC) Pc (atm) Vaporization Vaporization at Fusion at
Product Structure
(kg/kmol) at Tb (kJ/mol) 25oC (kJ/mol) Tm (kJ/mol)

Methanol
32.042 -97.8 64.7 239 78.5 35.21 37.43 3.215
CH4 O

Carbon
monoxide 28.01 -205 -192 -140.3 34.54 6.04 - 0.833
CO
Water
18.015 0 100 374 217.7 40.65 43.98 6.01
H2 O
Oxygen
31.998 -218.4 -183 -118.6 49.7 6.82 - 0.44
O2
Carbon C 12 3652 4827 - - - - 117

Carbon
44.01 -56.6 -78.5 31.04 73.0 - - 9.02
dioxide
Zinc oxide
81.379 1974 2360 - - - - 52.3
ZnO
Zinc sulfide
97.44 1700 - - - - - -
ZnS

Hydrogen
sulfide 34.08 -82.9 -59.6 100.15 88.5 18.67 14.08 2.38
H2 𝑆
 Sulfur
S 32.06 113 444.6 1039.85 180 45 - 1.72
S

Hydrogen
2.02 -259.1 -252.7 33.24 −239.95 0.9 - 0.12
H2
Note: Tm = Melting point, Tb = Boiling point, Tc = Critical Temperature, Pc = Critical Pressure
Table 2.2: Heat of combustion of reactant or product from e CRC Handbook of Chemistry and Physics.

Reactant/Product Heat of combustion kJ/mol

Carbon 393.5
Methanol 726.1
Carbon monoxide 283
hydrogen 285.8
Table 2.3: Thermal conductivity of produce or reactant (gases) from CRC Handbook of Chemistry and Physics.

Product/Reactant Thermal conductivity (mW/m K)

100K 200K 300K 400K 500K 600K
Hydrogen 68.6 131.7 186.8 230.4 - -
water - - 18.7 27.1 35.7 47.1
Hydrogen sulfide - - 14.6 20.5 26.4 32.4
Oxygen 9.3 18.4 26.3 33.7 41 48.1
Carbon monoxide - - 25.0 32.3 39.2 45.7
Carbon dioxide - 9.6 16.8 25.1 33.5 41.6
Methanol 26.2 38.6 53.0
Table 2.4: Thermal conductivity of produce or reactant (liquid) from CRC Handbook of
Chemistry and Physics

Product/ Thermal conductivity (mW/m K)

Reactant -25℃ 0℃ 25℃ 50℃ 75℃ 100℃
water - 0.5562 0.6062 0.6423 0.6643 0.6729
Methanol 0.218 0.210 0.202 0.195 0.189 0.182

Table 2.5: Heat capacities of product or reactant in liquid phase (Edgar and Perry, 2008).

Product/ Tmin (K) Tmax (K) Heat Capacity, Heat Capacity,

Reactant Cp at Tmin × Cp at Tmax ×
1𝐸 − 5
1𝐸 − 5
(J/kmol∙ 𝐾)
(J/kmol∙ 𝐾)
Hydrogen 187.68 370.00 0.6733 4.9183
sulfide
Methanol 175.47 400.00 0.7112 1.1097
Carbon dioxide 220.00 290.00 0.7827 1.6603
Carbon 68.15 132.00 0.5912 6.4799
monoxide
Hydrogen 13.95 32.00 0.1262 1.3122
water 273.16 533.15 0.7615 0.8939
Oxygen 54.36 142.00 0.5365 0.9066
Table 2.6: Heat Capacity at Constant Pressure of Inorganic and Organic Compounds in the
Ideal Gas State Fit to a Hyperbolic Functions Cp [J/(kmolK)] (Edgar and Perry, 2008).

Product/ Tmin (K) Tmax (K) Heat Capacity, Heat Capacity,

Reactant Cp at Tmin × Cp at Tmax ×
1𝐸 − 5
1𝐸 − 5
(J/kmol∙ 𝐾)
(J/kmol∙ 𝐾)
Hydrogen 100 1500 0.3329 0.5143
sulfide
Methanol 200 1500 0.3980 1.0533
Carbon dioxide 50 5000 0.2937 0.6335
Carbon 60 1500 0.2911 0.3521
monoxide
Hydrogen 250 1500 0.2843 0.3225
water 100 2273.15 0.3336 0.5276
Oxygen 50 1500 0.2910 0.3653