CME3103 Process Design, Economics &

Project Management
B.Eng (Hons) Chemical Engineering

Process Design Assignment (Flowsheet)

Group Number: 3

Date of Submission: 12th January 2018

Group Member Name Student Number
Bianca Mina Robles Hernandez 160736063

Duane Ysabel Ong 160737598

Lim Yong Jie 170007166

Ng Yu Winnie 160739134

Shawn Chan Jian Xun 160729593

Teo Chong Yeow Andrew 170007247

 Table of Contents
1. Hydrogen Production ................................................................................................................. 1

2. Input/ Output Diagram ............................................................................................................... 2

3. Functions Diagram ..................................................................................................................... 3

4. Operations Diagram ................................................................................................................... 4

5. Process Flow Diagram ............................................................................................................... 5

6. Material and Energy Balance ..................................................................................................... 6

7. Steam Reforming Process UniSim Model and Calculations ..................................................... 9

8. GAANT Chart .......................................................................................................................... 11

9. References ................................................................................................................................ 12
1. Hydrogen Production
Hydrogen can be produced through multiple pathways

First would be through the electrolysis of water which can be done using a multitude of
electrical sources. The first source would be fossil fuels. However, the cost incurred would be
high as this would require a constant source fuel to run the generators which may reduce profit.
The environmental impacts as well as the longevity of the process should also be considered
as fossil fuel sources will eventually run out. [1]

Second would be the production of hydrogen through the conversion of biomass which can be
further separated into 2 categories: thermal gasification and pyrolysis. Typical gasification
method requires high temperature to heat up the biomass and disengage to combustible gas. To
increase the energy value, air; steam or oxygen can be used as an agent for gasification. This
process is operated at a temperature of 300⁰C, pressure from 103.41 to 206.82 kPa and it also
favors wet biomass. The optimal condition was determined at 500⁰C, atmospheric pressure and
steam to biomass ratio of 10:1 for the thermos-chemical gasification process. 65% volume of
hydrogen will be produced with the presence of nickel catalyst. Pyrolysis is a process whereby
biomass is being convert into liquid oils, solid charcoals and gaseous compounds at a high
operating temperature of 650 to 800K and an operating pressure of 0.1 to 0.5 MPa under an
anaerobic condition. Fast pyrolysis is considered to be the most suitable condition for hydrogen
production instead of slow pyrolysis as the products are mainly charcoal. Fast pyrolysis
requires high and rapid heating process of the biomass feedstock in the absence of air. The
vapor product is then condensed to a dark brown mobile bio-liquid. [2]

Lastly, the production of hydrogen through catalytic steam reforming. The process is an
endothermic process where the system is operated at a very high temperature, where the
temperature of the gas leaving the catalyst is commonly in an overabundance of 650⁰C.
Hydrogen gas will be produce through catalytic steam reforming a hydrocarbon feedstock such
as methanol. Steam and/or carbon dioxide is the reforming gases that reacts with the feedstock
in the presence of a catalyst such as nickel, cobalt with aid of refractory oxidic material like
alumina, zirconia or calcium aluminate cement. Conventional feedstock like methane are used
to produce hydrogen and carbon monoxide. [3]

1
2. Input/ Output Diagram
By taking into considerations all the reactions that occur during the pre-reforming of
hydrocarbons, tubular reforming and medium temperature shift, the input-output diagram
shown below has been constructed. The reactants are methane, ethane and steam, while the
products are carbon dioxide, hydrogen gas and carbon monoxide.

Figure 1: Input-Output Diagram of Hydrogen Production

Table 1: Calculated Excess Value of Products over Raw Materials

Component per Desired

Chemical Molecular Weight Price
Product Weight Basis
Compound (kg/kmol) (USD/kg)
(kg/kg 𝑯𝟐 )

𝐻2 𝑂 (HP Steam) 18 0.00661[4] -4.15

𝐶2 𝐻6 30 17.50[5] -1.15

𝐶𝐻4 16 0.000324[6] -1.23

𝐻2 2 0.556[7] 1.00

𝐶𝑂2 44 0.015[8] 3.38

𝐶𝑂 28 0.6[9] 2.15

Excess value of products over raw materials, $/kg 𝐻𝟐 -18.26

The price in terms of USD/kg of each component is calculated to determine the feasibility of
the reaction in terms of profit. Hydrogen (H2) is the product. The value of hydrogen product
over raw materials is calculated to be -$18.26 which infers that the reaction is not profitable.
This is due to the high cost of ethane (C2H6) at US$17.50/kg. However, the reaction is still
selected to be further designed due to the steady decrease in the cost of ethane every year,
which will turn the reaction to be profitable and feasible.

2
3. Functions Diagram

Figure 2: Functions Diagram of Hydrogen Production

Table 2: Information on Reaction Conditions for Steam Reformation at 25Bar

Pre-reforming of Hydrocarbon to Methane and Hydrogen Gas

C2H6 + 2H2O  2CO + 5H2
CO + 3H2 ⇌ CH4 + H2O
CO + H2O ⇌ CO2 + H2
Tubular Reforming of Methane to Hydrogen Gas
CH4 + H2O ⇌ CO + 3H2
CH4 + 2H2O ⇌ CO2 + 4H2
CH4 + CO2 ⇌ 2CO + 2H2
Medium Temperature Shift (MT-Shift)
CO + H2O ⇌ H2 + CO2
Higher MW hydrocarbons are converted into
CO and H2 and then methanated. Nickel
catalyst are used. The reaction is endothermic
with a temperature of around 450-550oC
Methane gas entering the tubular reactor is
converted using steam and CO2 into H2. Nickel
catalyst is added. Reaction is highly
endothermic. Reaction is reversible hence,
process is carried out at high temperature at
850-950oC
CO and Steam from the previous process is
added to a MT-Shift catalytic reactor converter
and converted into hydrogen gas and carbon
dioxide. Reaction is exothermic and carried out
around 210-330oC. Copper catalyst is used in
the reactor. Shifted gas is cooled to ambient
temperature before H2 separation

3
4. Operations Diagram

Figure 3: Operations Diagram of Hydrogen Production

Table 3: Respective Reaction Information and Decisions made on each Process Stage

Pre-reforming of Hydrocarbon to Methane and Hydrogen Gas

Reaction Information Decisions

 Temperature between 450 to 550°C;  A compressor before the reactor
Pressure at 25bar (25bar)
 Endothermic reaction  Temperature at 500°C
 Nickel catalyst  A heater after the reactor
Tubular Reforming of Methane to Hydrogen Gas
Reaction Information
 Temperature between 850°C to Decisions
950°C; Pressure at 25bar  Temperature at 900°C
 Endothermic reaction  A cooler after the reactor
 Nickel catalyst
Medium Temperature Shift MT-Shift

Reaction Information
 Temperature between 210°C to Decisions
330°C; Pressure at 25bar  Temperature at 270°C
 Exothermic reaction  A cooler after the reactor
 Copper catalyst
Separator

Separation Information
 Temperature at 25°C; Pressure at Decisions
25bar  Pressure swing adsorption
 Product stream contains carbon  Recycle carbon dioxide, carbon
dioxide, carbon monoxide, hydrogen monoxide and methane to the feed
and methane
 Purity of hydrogen gas > 90%

4
5. Process Flow Diagram

Figure 4: Process Flow Diagram of Hydrogen Production

Table 4: Respective Unit Operations and Decisions made on each Process Stage
Separator, S-100 to remove Sulfur [10]
Unit Operations Decisions
 Separator S-100 is used to remove  A compressor before the reactor
sulfur from the feed mixture
(25bar)
containing methane and carbon
 Temperature at 500°C
dioxide.
 A heater after the reactor

Pre-reforming of Hydrocarbon to Methane and Hydrogen Gas, R-100 [11]

Unit Operations
 Take place in the upstream of the
Decisions
reforming process of hydrogen
 It improves energy efficiency
production.
 Increase feedstock flexibility.
 It is an adiabatic hydrocarbon
feedstock treatment  Reduce capital costs
 Which is heated up to a range of 450  Allow increasing production rate.
[11]

to 550 ⁰C at a pressure of 25 bar.

 Nickel catalyst
Tubular Reforming of Methane to Hydrogen Gas, R-101
Unit Operations Decisions
 With a side-furnace  With higher reforming temperature,
 Allow a capacities up to 300.000 the equilibrium conversion will be
Nm3 H2 (equivalent) /h. achieved.
 Temperature between 850°C to  Temperature at 900°C
950°C; Pressure at 25bar  Suitable for smaller or compact plant
 Nickel catalyst size.

5
  Reduce capital cost
Medium Temperature Shift MT-Shift [12]
Unit Operations Decisions
 Isothermal shift conversion  High oxygen storage capacity
 High temperature CO shift  Great mobility of surface
conversion at about 210°C to 330°C. oxygen/hydroxyl groups.
 To approximately around is 2.5%  Optimized hydrogen yield
CO on dry basis at the outlet of the production
reactor.  Temperature at 270°C
 Copper catalyst
Separator S-101

Unit Operations
 Pressure swing adsorption Decisions
 Carbon dioxide, carbon  Increases production yield
monoxide and methane are being  Obtain a purity of more than 90%
recycled to the feed hydrogen gas

6. Material and Energy Balance

Material Balance
The assumptions made during the calculation of the material balance for all reactors are:
1. 94% conversion for all reactions; [16]
2. Natural gas composition is 6.1% ethane and 93.9% methane; [17]
3. Feed flowrate of steam follows the ratio of one carbon to 2.5 steam; [18]
4. 34375 kmol/hr of hydrogen to be produced assuming 8000 operating hours per year.

Table 5: Overall Feed and Product Flowrates

Overall Material Balance
Components Feed Flowrate (kmol/hr) Product Flowrate (kmol/hr)
C2H6 997.3536697 59.84122018
CH4 15352.70649 996.6991067
H2 O 122625.4512 94866.25131
CO 0 241.7740243
H2 0 34375
CO2 0 8435.945687
Total 138975.5113 138975.5113

6
 Table 6: Pre-Reformer Feed and Product Flowrates

Pre-Reformer Material Balance

Components Feed Flowrate (kmol/hr) Product Flowrate (kmol/hr)
C2H6 997.3536697 59.84122018
CH4 0 1258.945289
H2 O 1994.707339 1214.964842
CO 0 10.44656729
H2 0 284.2002025
CO2 0 163.6628876
Total 2992.061009 2992.061009

Table 7: Reformer Feed and Product Flowrates

Reformer Material Balance

Components Feed Flowrate (kmol/hr) Product Flowrate (kmol/hr)
CH4 16611.65178 996.6991067
H2 O 24671.98334 1480.319
CO 0 4019.120504
H2 0 30303.00675
CO2 163.6628876 4648.15264
Total 41447.298 41447.298

Table 8: Medium Temperature Shift Feed and Product Flowrates

Medium Temperature Shift Material Balance

Components Feed Flowrate (kmol/hr) Product Flowrate (kmol/hr)
H2 O 4029.567071 241.7740243
CO 4029.567071 241.7740243
H2 0 3787.793047
CO2 0 3787.793047
Total 8059.134142 8059.134142

7
 Energy Balance
The assumptions made during the calculation of the energy balance for all the units are:
1. Molar flowrate into the system = Molar flowrate out of the system.
2. 𝑄 = 𝑚𝐶𝑝∆𝑇 applies for every unit of the system.
3. Compressor is adiabatic (Q=0) with 100% efficiency.

Table 9: Energy balance

Units Total Q (GJ/hr)

Heater 1 2349.3
Pre-Reformer 1231.7
Heater 2 1971.3
Reformer 8605.0
Cooler 1 2961.3
MT Shift -308.9
Cooler 2 1153.3
Total 17963.1

Table 10: Work done for compressor

Units Total Work Done (kJ/hr)
Compressor 2.49 x 108

8
7. Steam Reforming Process UniSim Model and Calculations

Boundary Layer

Figure 5: UniSim Model

The UNISIM model is modelled after the process of producing hydrogen primarily using 3 reactors. The pre-reformer converts higher chain
hydrocarbons from the mix feed (Natural gas) into methane gas. The gas stream then enters the reformer to convert methane gas into hydrogen
gas. After exiting the reformer, the MT-SHIFT reactor then converts carbon monoxide into additional hydrogen gas to increase the yield. The
pre-reformer and reformer reactor requires an energy input as the reactions are endothermic while the MT-SHIFT reactor requires a cooler as
reactions in the reactor are exothermic. As temperature is high, there are no liquid component exiting all 3 of the reactors. A pressure drop of
20kPA is assumed for all reactors. Lastly, separation is done using a component splitter to achieve the required purity of 90%. To achieve a
production rate of 550kT/(34.375Kmoles)year of hydrogen gas production with an 8000h/year production time, an “ADJ-1” function is used
to manipulate the input feed. The steam to carbon ratio of 2.5 is used. As feedstock is natural gas, rich in mainly methane and some ethane (3
carbon atoms), the steam to feed-stock ratio is set at 7.5 times. Molar flow balance is done on the system and the 3 reactors. Energy balance is
based on an open system and is calculated from the heat input and taken out by the various heat exchangers and heaters/coolers in the reactor.

9
 Sample calculations for both material balance, energy balance and stream data are shown in appendix.
Table 11: Material and energy balance from UniSim
Material Balance
Assumptions: Therefore, for molecular balance,
1. Density of components remain constant In - Out = Accumulation + Generation
2. Steady state production As system is in steady state, Accumulation = 0, In – Out = -Generation
As there are no liquid components exiting the 3 reactors, the overall (𝑀𝑖𝑥 𝑓𝑒𝑒𝑑 + 𝑆𝑡𝑒𝑎𝑚) − ( 𝐻𝑦𝑑𝑟𝑜𝑔𝑒𝑛 𝐺𝑎𝑠 + 𝐹𝑙𝑢𝑒 𝑔𝑎𝑠) = −𝑂𝑣𝑒𝑟𝑎𝑙𝑙 𝑔𝑒𝑛𝑒𝑟𝑎𝑡𝑖𝑜𝑛
molar flow balance around boundary can be written as; 𝑂𝑣𝑒𝑟𝑎𝑙𝑙 𝐺𝑒𝑛𝑒𝑟𝑎𝑡𝑖𝑜𝑛 = 1.76 × 104 𝑘𝑔𝑚𝑜𝑙𝑒/ℎ
The generation of the reaction in all 3 reactors can be calculated.
Pre-reformer Reformer MT-SHIFT reactor Total
Material balance (kgmole/hr)
6020 11600 0 17600
Energy Balance
𝑅𝑎𝑡𝑒 𝑜𝑓 𝑒𝑛𝑒𝑟𝑔𝑦 𝑎𝑐𝑐𝑢𝑚𝑢𝑙𝑎𝑡𝑒𝑑 = 𝐸𝑖𝑛 − 𝐸𝑜𝑢𝑡 + 𝑄 + 𝑊 , 𝐴𝑡 𝑆𝑡𝑒𝑎𝑑𝑦 𝑠𝑡𝑎𝑡𝑒, 𝑅𝑎𝑡𝑒 𝑜𝑓 𝑒𝑛𝑒𝑟𝑔𝑦 𝑎𝑐𝑐𝑢𝑚𝑢𝑙𝑎𝑡𝑒𝑑 = 0
0 = 𝐸𝑖𝑛 − 𝐸𝑜𝑢𝑡 + 𝑄 + 𝑊 for an ideal system
Ein Eout Qin Qout Win
Energy Balance(kJ/hr) 10 10 9 9
-1.974 x 10 -2.239 x 10 3.937 x 10 6.748 x 10 1.655 x 108
Rate of energy accumulated in system (kJ/hr) 2.9 x 106
Energy balance done on UNISIM values does not tally with an ideal system where for a steady state system, the rate of energy accumulated in the
system is = 0. A possible explanation for the discrepancy could arise from the rounding up of values in UNISIM and during calculation. Comparatively,
the calculated rate of energy accumulation is significantly lower by a factor of 3-4.

10
8. GAANT Chart
Table 12: Activities for designing, building and commissioning a plant

Figure 6: Gannt Chart

Fig 6 and table 12 showed the activities required for designing, building and commissioning of
a hydrogen plant. The duration for the activities were based on estimation, taking sudden
mishaps into considerations, like delayed shipment. The designing phase of the plant starts
from problem identification to process & instrumentation diagram. The commissioning phase
of the plant starts from appropriate training of personnel to optimisation of the plant.

11
9. References

[1] Energy.gov. (n.d.). Hydrogen Production: Electrolysis | Department of Energy. [online]

Available at: https://energy.gov/eere/fuelcells/hydrogen-production-electrolysis [Accessed 9
Jan. 2018].

[2] Kalinci, Y., Hepbasli, A. and Dincer, I. (2009). Biomass-based hydrogen production: A
review and analysis. International Journal of Hydrogen Energy, 34(21), pp.8799-8817.

[3] Ni, M., Leung, D., Leung, M. and Sumathy, K. (2006). An overview of hydrogen
production from biomass. Fuel Processing Technology, 87(5), pp.461-472.

[4] Energy.gov. (2014). How To Calculate The True Cost of Steam. [online] Available at:
https://www.energy.gov/sites/prod/files/2014/05/f15/tech_brief_true_cost.pdf [Accessed 9
Jan. 2018].

[5] Icis.com. (2016). Fears of US ethane price spike overblown - analyst. [online] Available
at: https://www.icis.com/resources/news/2016/09/06/10031804/fears-of-us-ethane-price-
spike-overblown-analyst/ [Accessed 9 Jan. 2018].

[6] Eia.gov. (2017). United States Natural Gas Industrial Price (Dollars per Thousand Cubic
Feet). [online] Available at: https://www.eia.gov/dnav/ng/hist/n3035us3m.htm [Accessed 9
Jan. 2018].

[7] Heshydrogen.com. (2016). Hydrogen Fuel Cost vs Gasoline. [online] Available at:
http://heshydrogen.com/hydrogen-fuel-cost-vs-gasoline/ [Accessed 9 Jan. 2018].

[8] Synapse-energy.com. (2015). 2015 Carbon Dioxide Price Forecast. [online] Available at:
http://www.synapse-
energy.com/sites/default/files/2015%20Carbon%20Dioxide%20Price%20Report.pdf
[Accessed 9 Jan. 2018].

[9] Kraemer, S. and Kraemer, S. (2012). Zero Carbon Cement Production with Solar Thermal.
[online] CleanTechnica. Available at: https://cleantechnica.com/2012/04/10/zero-carbon-
cement-production-with-solar-thermal/ [Accessed 11 Jan. 2018].

12
[10] Rostrup-Nielsen J, Rostrup-Nielsen T. Large-scale Hydrogen Production [Internet].
Topsoe.com. 2007 [cited 11 January 2018]. Available from:
https://www.topsoe.com/sites/default/files/topsoe_large_scale_hydrogen_produc.pdf

[11] An introduction to pre-reforming catalysis [Internet]. Jmprotech.com. 2016 [cited 11

January 2018]. Available from: http://www.jmprotech.com/pdfs-library/NS-341-Pre-
reforming-catalysts-PRINT.pdf.

[12] Alijani, A. and Irankhah, A. (2013). Medium-Temperature Shift Catalysts for Hydrogen
Purification in a Single-Stage Reactor. Chemical Engineering & Technology, 36(2), pp.209-
219.
[13] Adiabatic heat compressor. (2018). Camesainc.com. Retrieved 2 January 2018, from
http://www.camesainc.com/Resource_/TechnicalReference/2366/Camesa-TechBulletin-
024.pdf

[14] B.A, Y., & J.F, E. (2018). Thermophysical Properties of Fluid II. Methane, Ethane,
Propane, Isobutane and normal Butane. Nist.gov. Retrieved 2 January 2018, from
https://www.nist.gov/sites/default/files/documents/srd/jpcrd331.pdf

[15] Specific Heat and Individual Gas Constant of Gases. (2018). Engineeringtoolbox.com.
Retrieved 1 January 2018, from https://www.engineeringtoolbox.com/specific-heat-capacity-
gases-d_159.html

[16] Chibane L, Djellouli B. Methane Steam Reforming Reaction Behaviour in a Packed Bed
Membrane Reactor [Internet]. 2011 [cited 11 January 2018]. Available from:
http://www.ijcea.org/papers/93-A561.pdf

[17] Chemical Composition of Natural Gas - Union Gas [Internet]. Uniongas.com. 2018
[cited 11 January 2018]. Available from: https://www.uniongas.com/about-us/about-natural-
gas/Chemical-Composition-of-Natural-Gas

[18] Abbas S, Dupont V, Mahmud T. Kinetics study and modelling of steam methane
reforming process over a NiO/Al 2 O 3 catalyst in an adiabatic packed bed reactor [Internet].
Science Direct. 2018 [cited 11 January 2018]. Available from:
https://www.sciencedirect.com/science/article/pii/S0360319916333821

13
10.Appendix
10.1 Sample Calculations for Material Balance
Using the first reaction in the pre-reformer as a sample calculation:
C2H6 + 2H2O  2CO + 5H2
Table 10: Molar flowrate of each component
Components C2H6 H2O CO H2 Total
Feed Molar Flowrate (kmol/hr) 997.4 1994.7 0 0 2992.1
Product Molar Flowrate (kmol/hr) 59.8 119.7 803.6 2009 2992.1

Since the conversion for the pre-reformer is 94%,

𝑀𝑜𝑙𝑎𝑟 𝑓𝑙𝑜𝑤𝑟𝑎𝑡𝑒 𝑜𝑓 𝐶2 𝐻6 𝑟𝑒𝑎𝑐𝑡𝑒𝑑 = 997.4 × 0.94 = 937.6𝑘𝑚𝑜𝑙/ℎ𝑟
𝑀𝑜𝑙𝑎𝑟 𝑓𝑙𝑜𝑤𝑟𝑎𝑡𝑒 𝑜𝑓 𝐻2 𝑂 𝑟𝑒𝑎𝑐𝑡𝑒𝑑 = 1994.7 × 0.94 = 1875𝑘𝑚𝑜𝑙/ℎ𝑟
∴ 𝑇𝑜𝑡𝑎𝑙 𝑚𝑜𝑙𝑎𝑟 𝑓𝑙𝑜𝑤𝑟𝑎𝑡𝑒 𝑜𝑓 𝑟𝑒𝑎𝑐𝑡𝑎𝑛𝑡𝑠 𝑟𝑒𝑎𝑐𝑡𝑒𝑑 = 937.6 + 1875 = 2812.6𝑘𝑚𝑜𝑙/ℎ𝑟
2
𝑀𝑜𝑙𝑎𝑟 𝑓𝑙𝑜𝑤𝑟𝑎𝑡𝑒 𝑜𝑓 𝐶𝑂 𝑝𝑟𝑜𝑑𝑢𝑐𝑒𝑑 = 2812.6 × ( ) = 803.6𝑘𝑚𝑜𝑙/ℎ𝑟
7
5
𝑀𝑜𝑙𝑎𝑟 𝑓𝑙𝑜𝑤𝑟𝑎𝑡𝑒 𝑜𝑓 𝐻2 𝑝𝑟𝑜𝑑𝑢𝑐𝑒𝑑 = 2812.6 × ( ) = 2009𝑘𝑚𝑜𝑙/ℎ𝑟
7

10.2 Sample calculations for energy balance

Using the Heater 1 as a sample calculation:

The table below represents the molar flowrate into Heater 1 with the respectively components.
The molar composition and Cp, specific heat capacity of the components is obtained from
various literatures. The mole ratio and the Cp of each component is multiplied to produce the
total Cp of the feed inlet entering Heater 1. The temperature in and out of Heater 1 is 298K and
773K.
Table 12: Heater 1 inlet molar flowrate and specific heat capacity
Inlet Molar
Molar Cp with
Components Flowrate Mole ratio Cp
composition mole ratio
(kmol/hr)
C2H6 0.061 997.3536697 0.007176471 52.5 0.376764706
CH4 0.939 15352.70649 0.110470588 35.52 3.923915294
H20 7.5 122625.4512 0.882352941 35.46 31.28823529
Total 8.5 138975.5113 1 123.48 35.58891529

𝑄 = 𝑚𝐶𝑝∆𝑇
𝑘𝑚𝑜𝑙 𝑘𝐽
𝑄 = (138975.51 ) ∗ (35.59 ) ∗ (773𝑘 − 298𝐾)
ℎ𝑟 𝑘𝑚𝑜𝑙. 𝐾

𝐺𝐽
𝑄 ≈ 2349.34
ℎ𝑟

14
10.3 Sample calculations for compressor
Assumptions:
1. Adiabatic compressor
2. 100% efficiency
To find the temperature of compressor outlet, an Equation of state[13] is used where
𝑃2 𝑘−1
𝑇2 = 𝑇1 ( ) 𝑘
𝑃1
𝐶𝑝
𝑘𝑛𝑎𝑡𝑢𝑟𝑎𝑙 𝑔𝑎𝑠 = = 1.27 [15]
𝐶𝑣
2500 1.27−1
𝑇2 = 298( ) 1.27 = 589.11𝐾
101.325

M=16350kmol/hr M=16350kmol/hr

T1 = 298K T2 = 589.11K

P1= 101.325kPa P2= 2500kPa

Natural gas Natural Gas

To determine the energy output of the compressor,
M(h2-h1) = (Qin – QOut) + (Win – Wout)
Where for an adiabatic compressor there is no heat transfer, (Qin – QOut)= 0 and Wout= 0
M(h2-h1) = Win
Table 11: Methane and Ethane Enthalpy table[14]
Methane Ethane
H1 @ 298K H2 @ 589K H1 @ 298K H2 @ 589K
7.57 22.484 11.9 32.066
(kJ/mol)
16350*1000(22.484-7.57) + 16350*1000(32.066-11.9)= Win
Win=2.49 x 108 kJ/hr

15
UNISIM Stream data

16
Sample calculations for UNISIM material balance
Material Balance
Assumptions:
1. Density of components remain constant
2. Steady state production
As there are no liquid components exiting the 3 reactors, the overall
molar flow balance around boundary can be written as;
The generation of the reaction in all 3 reactors can be calculated.
Therefore, for molecular balance,
In - Out = Accumulation + Generation
As system is in steady state, Accumulation = 0, In – Out = -Generation
(𝑀𝑖𝑥 𝑓𝑒𝑒𝑑 + 𝑆𝑡𝑒𝑎𝑚) − ( 𝐻𝑦𝑑𝑟𝑜𝑔𝑒𝑛 𝐺𝑎𝑠 + 𝐹𝑙𝑢𝑒 𝑔𝑎𝑠) = −𝐺𝑒𝑛𝑒𝑟𝑎𝑡𝑖𝑜𝑛
(1.109 × 104 + 8.319 × 104 ) − (3.4375 × 104 + 7.751 × 104 )
9.428 × 104 − 11.188 × 104 = −𝐺𝑒𝑛𝑒𝑟𝑎𝑡𝑖𝑜𝑛
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 𝑂𝑣𝑒𝑟𝑎𝑙𝑙 𝐺𝑒𝑛𝑒𝑟𝑎𝑡𝑖𝑜𝑛 = 1.76 × 104 𝑘𝑔𝑚𝑜𝑙𝑒/ℎ

Material balance around Pre-reformer reactor (PR)

𝑃𝑅𝐹 − 𝑅1𝑜𝑢𝑡 = −𝐺𝑒𝑛𝑒𝑟𝑎𝑡𝑖𝑜𝑛 9.428 × 104 − 1.003 × 105 = −𝐺𝑒𝑛𝑒𝑟𝑎𝑡𝑖𝑜𝑛
𝐺𝑒𝑛𝑒𝑟𝑎𝑡𝑖𝑜𝑛 𝑓𝑜𝑟 𝑝𝑟𝑒 − 𝑟𝑒𝑓𝑜𝑟𝑚𝑒𝑟 = 6020 𝑘𝑔𝑚𝑜𝑙𝑒/ℎ𝑟
Material Balance around Reformer reactor (R)
𝑅𝐹 − 𝑅2𝑜𝑢𝑡 = −𝑔𝑒𝑛𝑒𝑟𝑎𝑡𝑖𝑜𝑛 1.003 × 105 − 1.119 × 105 = −𝐺𝑒𝑛𝑒𝑟𝑎𝑡𝑖𝑜𝑛
𝐺𝑒𝑛𝑒𝑟𝑎𝑡𝑖𝑜𝑛 𝑓𝑜𝑟 𝑟𝑒𝑓𝑜𝑟𝑚𝑒𝑟 = 11600 𝑘𝑔𝑚𝑜𝑙𝑒/ℎ𝑟
Material balance around MT-SHIFT reactor(MTS)
𝑀𝑇𝑆𝐹 − 𝑅3𝑜𝑢𝑡 = −𝑔𝑒𝑛𝑒𝑟𝑎𝑡𝑖𝑜𝑛 1.119 × 105 − 1.119 × 105 = −𝐺𝑒𝑛𝑒𝑟𝑎𝑡𝑖𝑜𝑛
𝐺𝑒𝑛𝑒𝑟𝑎𝑡𝑖𝑜𝑛 𝑓𝑜𝑟 𝑀𝑇 − 𝑆𝐻𝐼𝐹𝑇 = 0 𝑘𝑔𝑚𝑜𝑙𝑒/ℎ𝑟
Total Material Balance from generation
𝐺𝑒𝑛𝑒𝑟𝑎𝑡𝑖𝑜𝑛 𝑓𝑜𝑟 𝑝𝑟𝑒 − 𝑟𝑒𝑓𝑜𝑟𝑚𝑒𝑟 + 𝐺𝑒𝑛𝑒𝑟𝑎𝑡𝑖𝑜𝑛 𝑓𝑜𝑟 𝑟𝑒𝑓𝑜𝑟𝑚𝑒𝑟 + 𝐺𝑒𝑛𝑒𝑟𝑎𝑡𝑖𝑜𝑛 𝑓𝑜𝑟 𝑀𝑇 − 𝑆𝐻𝐼𝐹𝑇 = 𝑂𝑣𝑒𝑟𝑎𝑙𝑙 𝐺𝑒𝑛𝑒𝑟𝑎𝑡𝑖𝑜𝑛
6020 𝑘𝑔𝑚𝑜𝑙𝑒/ℎ𝑟 + 11600 𝑘𝑔𝑚𝑜𝑙𝑒/ℎ𝑟 + 0 𝑘𝑔𝑚𝑜𝑙𝑒/ℎ𝑟 = 1.76 × 104 𝑘𝑔𝑚𝑜𝑙𝑒/ℎ 1.762 × 104 𝑘𝑔𝑚𝑜𝑙𝑒/ℎ𝑟 = 1.76 × 104 𝑘𝑔𝑚𝑜𝑙𝑒/ℎ
Energy Balance
𝑅𝑎𝑡𝑒 𝑜𝑓 𝑒𝑛𝑒𝑟𝑔𝑦 𝑎𝑐𝑐𝑢𝑚𝑢𝑙𝑎𝑡𝑒𝑑 = 𝐸𝑖𝑛 − 𝐸𝑜𝑢𝑡 + 𝑄 + 𝑊 , 𝐴𝑡 𝑆𝑡𝑒𝑎𝑑𝑦 𝑠𝑡𝑎𝑡𝑒, 𝑅𝑎𝑡𝑒 𝑜𝑓 𝑒𝑛𝑒𝑟𝑔𝑦 𝑎𝑐𝑐𝑢𝑚𝑢𝑙𝑎𝑡𝑒𝑑 = 0
0 = 𝐸𝑖𝑛 − 𝐸𝑜𝑢𝑡 + 𝑄 + 𝑊 𝑤ℎ𝑒𝑟𝑒 𝐸𝑖𝑛 − 𝐸𝑜𝑢𝑡 = −1.974 × 1010 − (−2.239 × 1010 ) = 2.642 × 109 𝑘𝐽/ℎ
𝑄 = 𝑄𝑖𝑛𝑝𝑢𝑡 𝑓𝑟𝑜𝑚 ℎ𝑒𝑎𝑡𝑖𝑛𝑔 − 𝑄𝑜𝑢𝑡𝑝𝑢𝑡 𝑓𝑟𝑜𝑚 𝑐𝑜𝑜𝑙𝑖𝑛𝑔 = (3.9368 × 109 − 6.748 × 109 ) = −2.818 × 109
𝑊 = 𝑊𝑐𝑜𝑚𝑝𝑟𝑒𝑠𝑠𝑜𝑟 = 1.655 × 108 𝑘𝐽/ℎ
𝑅𝑎𝑡𝑒 𝑜𝑓 𝑒𝑛𝑒𝑟𝑔𝑦 𝑎𝑐𝑐𝑢𝑚𝑢𝑙𝑎𝑡𝑒𝑑 = 𝐸𝑖𝑛 − 𝐸𝑜𝑢𝑡 + 𝑄 + 𝑊 = (2.6424 × 109 ) + (−2.8108 × 109 ) + (1.655 × 108 )
𝑅𝑎𝑡𝑒 𝑜𝑓 𝑒𝑛𝑒𝑟𝑔𝑦 𝑎𝑐𝑐𝑢𝑚𝑢𝑙𝑎𝑡𝑒𝑑 = −2.9 × 106 kJ/hr

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