Chemical Process Simulation

Task 1

Problem 1: Define a water stream with the following specifications in the

HYSIS environment:

Temperature: 25°C

Pressure : 1 bar

Flow rate : 100 [Link]/h

Problem 2: Create one materials stream that contains only water with
following conditions:

Fluid Package: Peng-Robinson

Flowrate: 100 kgmole/h

Pressure: 1 atm

Vapor/Phase Fraction: 1.00

What is the temperature of this stream? ________________

Problem 3: Create one materials stream that contains only water with
following conditions:

Fluid Package: Lee-Kesler

Flowrate: 150 kgmole/h

Pressure: 1.5 atm

Vapor/Phase Fraction: 1.00

What is the temperature of this stream? ________________

Problem 4: Find the molar volume of ammonia gas at 56 atm and 450 K using
Soave-Redlich-Kwong (SRK) equation of state.

Problem 5: Create the specific molar volume of ethanol gas at 77 atm and 355
K using Peng-Robinson (PR) equation of state.

Problem 6: Find the molar volume of methanol gas at 100 atm and 300 oC
using Peng-Robinson (PR) equation of state. Compare its molar volume when
you are using Soave-Redlich-Kwong (SRK) equation of state.
Problem 7: Consider the following mixture going into a Water-Gas-Shift reactor
to make hydrogen for the hydrogen economy. CO, 630 kmol/h; H2O, 1130
kmol/h; CO2, 189 kmol/h; H2, 63 kmol/h. The gas is at 1 atm and 500 K.
Compute the specific volume of this mixture using Soave-Redlich-Kwong (SRK)
equation of state

Problem 8: Consider the following mixture that is coming out of a methanol

reactor: CO, 100 kmol/h; H2, 200 kmol/h; methanol, 100 kmol/h. The gas is at
100 atm and 300 oC. Compute the specific volume using Soave-Redlich-Kwong
(SRK) equation of state and compare it with Peng-Robinson (PR) equation of
state

Problem 9: Consider a mixture of 25 percent ammonia, and the rest nitrogen

and hydrogen in a 1:3 ratio. The gas is at 270 atm and 550 K. Use Peng-
Robinson (PR) equation of state to compute the specific volume of this mixture.
 Task 2

Pump

Problem 1: Calculate the duty of the pump to increase the pressure from 1 to 5
bar of mixtures half benzene and half toluene.

Given, property method: SRK

Total mass flow: 2000 kg/h

Pump efficiency: 75%

Feed temperature: 75C

Problem 2: Calculate the discharge pressure and required duty of the pump of
mixtures half pentene and half hexane.

Given, property method: Peng Robinson

Total mass flow: 30000 kg/h

Feed temperature: 30°C

Feed pressure - 1 bar

Pressure changer-Pump

Pump efficiency: 75%

Pump curve data

gpm Head (ft)

25 115.3

50 114.9

100 113.8

150 111

200 108.2

250 103
 300 97

325 94

350 90.3

375 86.3

400 82.4

425 78.5

450 74.4

Problem 3: Water at 120°C and 3 bar is fed into a pump that has only 70%
efficiency. The flowrate of the water is 100 kgmole/h and its outlet pressure
from the pump is 84 bar. ASME steam table as a fluid package, determine the
pump power requirement the outlet temperature of the water.

Problem 4: Water at 120°C and 3 bar is fed into a pump that has only 40%
efficiency. The flowrate of the water is 100 kgmole/h and its outlet pressure
from the pump is 90 bar. Using Soave- Redlich Kwong (SRK) equation of state
as a fluid package, determine the outlet temperature (°C) of the water Case
Study: Determine the effect of change in efficiency of the pump on the outlet
temperature
 Task 3

Compressor

Problem 1: Compressor Simulation using Peng-Robinson equation of state

Composition:

Methane: 0.943352

Ethane:0.041257

Propane:0.00988

Butane:0.003227

Nitrogen:0.002284

Compressor specifications:

Delta P: 10 bar

Adiabatic efficiency: 80%

Parameter Inlet Outlet

Temperature (°C) 25 ?

Pressure (bar) 1 ?

FLowrate 1500 1500

(kgmole/h)

Problem 2: Air is compressed by a reversible compressor from an inlet state of

100 kpa and 300 K to an exit pressure of 900 kpa. Using the Peng-Robinson
equation of state, determine the compressor work per unit mass (kJ/kg). Assume
100% adiabatic efficiency of the compressor.

Problem 3: Natural gas at 100 C and 1 bar is fed into a compressor that has
only 30% efficiency. The flowrate of the natural gas is 100 kgmol/h and its
outlet pressure from the compressor is 5 bar. Using the Peng-Robinson equation
of state as fluid package, determine the outlet temperature of the natural gas
and the compressor power requirement. The composition of natural gas is as
follows:

Composition mole fraction

C1 0.330

C2 0.143

C3 0.101

i-C4 0.098

n-C4 0.080

i-C5 0.069

n-C5 0.059

C7+ (normal bp-110°C) 0.042

What is the outlet temperature and the power requirement of the

compressor ?

Problem 4: Assuming that the inlet to the compressor (80% efficiency ) is air
at 1 bar and 290 K and that the discharge is at a pressure of 10 bar, estimate
the power requirement for a gas flow rate of 2.5 mol/s. Use the Peng-Robinson
equation of state.

Problem 5: A mixture of natural gas (Methane, Ethane, Propane) at 25 C and

20 bar is fed into an expander that has only 30% efficiency. The flow rate of
natural gas is 100 kgmole/h and its outlet pressure from the compressor is 5
bar. Using the Peng-Robinson equation of state as fluid package, determine the
outlet temperature of the natural gas. The composition of feed gas is as follows:
Methane-50%, Ethane-30% and Propane-20%

Problem 6: 100 kmol/h of natural gas at 80°C and 1 bar enters a compressor
that has only 70% efficiency. Outlet pressure from the compressor is 10 bar.
The composition of natural gas is as follows: Methane-33%, Ethane-14.3% and
Propane-10.1%, iso-butane-9.8%, n-butane-8%, isopentane-6.9%, n-pentane-
5.9%, n-hexane-7.8% and an unknown hydrocarbon -4.2%. The only physical
property known about this high boiler is its normal boiling point which is 110 C.
Using the Peng-Robinson equation of state as fluid package, determine the
outlet temperature of the natural gas and the compressor power requirement.
 Task 4

Turbine

Problem 1: Steam at 10 bar absolute with 190 °C of superheat is fed to a

turbine at a rate of 2000 kg/h. The turbine (70% efficiency) operation is
adiabatic and the effluent is saturated steam at 1 bar. Calculate the work output
of the turbine in kW. Use the ASME steam package.

Problem 2: Steam at 500 bar and 600 °C is allowed to undergo a Joule

Thomson through an adiabatic valve to atmospheric pressure. What will be the
temperature of steam after the expansion? Use the ASME steam package.

Problem 3: A steam supply line carries a two phase liquid-vapour mixture at

300 psi (2068 kpa). A small fraction of the steam line is diverted through a
throttling valve exhausted to the atmosphere. Temperature of the exhaust
stream is 250 °F (121.1 °C). Determine the quality of steam in the supply line.

Problem 4: Hot water at 250 °C and 1000 psig enters the tubes to heat a cold
stream of water in a shell and tube heat exchanger. The inlet temperature and
pressures of the cold stream entering the shell is 25 C and 130 psig,
respectively. The outlet temperatures of the cold stream (shell outlet) and hot
stream (tube outlet) are 150C and 190 C respectively. For now assume very low
pressure drops in both tube and shell sides of the heat exchanger. If the flow
rate of the hot stream is 100 kg/h, determine the flow rate of the cold stream
passing through the exchanger. Use the ASME steam package.

Problem 5 (Problem 4 modified for Min Approach): 100 kg/h of hot water
at 250 °C and 1000 psig enters the tubes to heat a cold stream of water in a
shell and tube heat exchanger. The inlet temperature and pressures of the cold
stream entering the shell are 25°C and 130 psig, respectively. The outlet
temperature of the hot stream (tube outlet) is 190 °C respectively. Use a
weighted heat exchanger design model for simulation under the parameter tab.
Assume tube side and shell side pressure drops as 50 kpa and 30 kpa. If the
design minimum approach temperature is 20 °C, determine the flow rate and
temperature of the outlet cold stream passing through the exchanger. Use
ASME steam.

Problem 6: A gas stream containing 8.0% CO and 92 mol% Co2 at 500 °C and
1 bar is fed to a waste heat boiler, a large metal containing a bundle of small
diameter tubes. The hot gas flows over the outside of the tubes. Liquid water at
25 °C and 5.0 bar is fed to the boiler in a ratio of 0.2 kmol feedwater/kmol of hot
gas and flows inside the tubes. Heat is transferred from the hot gas through the
tube walls to the water, causing the gas to cool and the water to heat to its
boiling point and evaporate to saturated steam at 0.5 bar. The steam may be
used for the heating or power generation in the plant or as the feed to another
process unit. The gas leaving the boiler is flared and discharged to the
atmosphere. The boiler operates adiabatically. What is the temperature of the
existing gas? Use the Peng-Robinson equation of state.

Task 5

Problem 1: Refrigerant 134a enters the compressor of a refrigerator as a

superheated vapour at 0.14 MPa and -10 C at a rate of 0.05 kg/s and leaves at
0.8 MPa and 50 C. The refrigerant is cooled in the condenser to 26 C and 0.72
MPa and is throttled to 0.15 MPa. Disregarding any heat transfer or pressure
drop in the connecting lines, determine: (a) rate of heat removal from the
refrigerated space (b) power input to the compressor (c) isotropic efficiency of
the compressor and (d) COP of the refrigerator. Use NRTL with Peng Rbinson
for vapour phase equation of state for prediction of thermodynamic properties.

Problem 2: In an industrial refrigeration unit, 300 kgmole/h of R 134a is used

as a refrigerant. A compressor with 70% adiabatic efficiency is used to
compress the refrigerant vapour coming out of the evaporator (cooling unit) at
1 bar and 25 C to a pressure of 10 bar. The superheated refrigerant vapour
coming out of the compressor is air cooled in an outdoor heat exchanger to 30
C. The liquid refrigerant is then throttled through an adiabatic expansion valve
to 1 bar exit pressure whereby the refrigerant flashes and its temperature
drops. The low temperature refrigerant is now allowed to pass through the
evaporator (use a heater for simulation), where a fan forces fresh air to blow
over tubes containing the liquid refrigerant while the refrigerant evaporates to
vapour. Calculate the (a) cooling capacity, which is the heat load of the
evaporator = 1518 kw, 1 ton refrigeration = 3.51 kw and (b) Compressor
p0wer requirement =722.7 kw, and 1 kw=1.359 hp.
Problem 3: A liquid mixture of 25 mole% n-pentane, 45 mole% n-hexane and
30 mole% n-heptane, initially at 69 C and high pressure, is partially vapourized
by isothermally lowering the pressure to 1 atm. Find the relative amounts of
vapour and liquid and their compositions.

Problem 4: We have a 100 lb mol/h of a stream containing 15% ethane, 20%

propane, 60% i-butane and 5% n-butane at 5o F and atmospheric pressure. This
stream is to be compressed in a compressor with 75% efficiency to 50 psia, and
then cooled to 32 F. The resulting vapour and liquid are to be separated as the
two product streams. What are the flowrates and compositions of these two
streams? Use Peng Robinson equation of state.

Problem 5: Calculate the vapour and liquid compositions in a flash

vapourization chamber maintained at 60 C and 1300 kpa for 100 kmol/h of a
feed containing ethane, propane, n-butane and n-pentane, all in equal mol
fractions.

Problem 6: A 45.36 kmol/h of a stream containing 15% ethane, 20% propane,

60% i-butane and 5% n-butane at 1o C and atmospheric pressure is compressed
in a with 75% efficiency to 350 kpa, and then cooled to 0C. The resulting stream
is then sent to a separation vessel amd the vapour and liquid are withdrawn as
two product streams. Determine the flowrates and compositions of these two
streams? Use Peng Robinson equation of state.

Problem 7 (Isothermal flash): 100 kmol/h of a hydrocarbon mixture

containing 15% i-pentane, 30% n-pentane and rest n-hexane, initially at 3o C
and 1 atm is heated to the extent that 50% of the liquid is vapourized. The
resulting liquid-vapour mixture enters an isothermal vessel maintained at
atmospheric pressure. Calculate the heat duty of fired heater and the
equilibrium compositions of the liquid and vapour coming out of the isothermal
flash vessel. Use Peng Robinson equation of state. Assume negligible pressure
drop in the fitted heater.

Problem 8 (Adiabatic flash): 100 kmol/h of a hydrocarbon mixture containing

15% i-pentane, 30% n-pentane and rest n-hexane, at 10 atm and 11o C (check
bubble point of the mixture and ensure that the liquid is below its bubble point)
is throttled through isenthalpic valve and then sent to an insulated separator
(adiabatic flash) maintained at atmospheric pressure. Calculate the
temperature of flash vessel and the equilibrium compositions of the liquid and
vapour coming out of the vessel. Use Peng Robinson equation of state. Assume
negligible pressure drop in the fitted heater.

Task 6
 VLE Diagram

Problem 1: Using ASPEN Hysys create VLE diagrams (xy, T–xy) diagrams for a
binary mixture of benzene and toluene at atmospheric pressure. Use Peng -
Robinson equation of state.

State State State State State State State State State State State State
1 2 3 4 5 6 7 8 9 10 11

Benzene- 0 0.2 0.4 0.6 0.8 1 1.2 1.4 1.6 1.8 2

Molar
flow
[kgmole/
h]

Mixture- 110.3 107.4 104.4 101.4 98.4 95.30 92.2 89.08 86.02 83.04 80.2
Temperat
ure [C]

Phase 0 0.064 0.134 0.212 0.297 0.391 0.495 0.608 0.730 0.861 1
Comp
Mole
Frac
[liquid
phase -
Benzene]

Phase 0 0.135 0.263 0.384 0.497 0.602 0.699 0.787 0.866 0.937 1
Comp
Mole
Frac
[Vapour
phase -
Benzene]

Problem 2: Using ASPEN Hysys to a create VLE diagrams (xy, T–xy) diagrams
for a binary mixture of di-iso propylether and 2-propanol at atmospheric
pressure. Use Wilson equation of state for the liquid phase and Peng - Robinson
equation of state for the vapour phase property prediction.

State State State State State State State State State State State State
1 2 3 4 5 6 7 8 9 10 11

Ether - 0 0.2 0.4 0.6 0.8 1 1.2 1.4 1.6 1.8 2

Molar
flow
[kgmole/
h]

Mixture- 82.32 78.95 75.77 72.85 70.43 68.65 67.49 66.84 66.71 67.23 68.4
Temperat
ure [C]

Mole 0 0.039 0.093 0.167 0.267 0.394 0.536 0.677 0.806 0.914 1
Frac
[liquid di
-i-P-
Ether]

Mole 0 0.157 0.295 0.413 0.510 0.588 0.654 0.719 0.794 0.886 1
Frac
[Vapour
di -i-P-
Ether]

Task 7

Pipe

Problem 1: Water at 25 °C and 2 atm inlet pressure flows through an

isothermal horizontal 1 in nominal diameter schedule 40, 10 m long smooth
pipe. Average velocity of water in the pipe is 4 m/s. Calculate the discharge
pressure at the outlet of the pipe.

Problem 2: Waters enters a 5000 ft long 6 in diameter schedule 40

commercial steel pipe at 60 F and 150 psig and discharges to an open tank
located 300 ft above the inlet point. Calculate the discharge water flow rate.
Assume no heat loss from the pipe.

Problem 3: Problem 2, make a plot of water flow rate vs pressure drop (100-
200 psi)

Problem 4: Water at 20 °C is being pumped from a tank to an elevated tank at

the rate of 5 ⤫ 10-3 m3/s . All of the piping is 4 in schedule 40 pipe. The pump
has an efficiency of 65%. Calculate the pump power requirement (kW).

Problem 5: Water at 60 °F is being transformed at a flow rate of 65 gpm from

an open reservoir to another open reservoir with a 75v % efficient pump. All the
piping in the network is scheduled for 40 steel pipe. Calculate the required
pump horsepower.

Problem 6: This problem is a continuation (reverse version) of Example 5.

Water at 60 °F is being transferred from an open reservoir to another open
reservoir with a 2 hp, 75% efficient pump. Calculate the volumetric flow rate of
water discharged to the open reservoir (GPM).

Problem 7: This problem is a continuation (reverse version) of Example 4.

Water at 60 °F is being transferred from an open reservoir to another open
reservoir with a 2 hp, 75% efficient pump. Calculate the volumetric flow rate of
water discharged to the open reservoir (GPM).
 Task 8

Pipe

Problem 1 (Conversion Reactor): Toluene is produced from n-heptane by

dehydrogenation over Cr2O3 catalyst. The toluene production process requires
heating 100 kmol/h of n-heptane at atmospheric pressure from 20 to 425 C in a
heater. The preheated feed enters a catalytic reactor, which operates at 425 C
and atmospheric pressure and converts 15 mol% of the n-heptane to toluene.
The reactor effluent is cooled to 20C and subsequently enters a flesh separator.
Assuming that all units are operated at atmospheric pressure, determine the
species flow rates, temperature and composition of each stream. Use Peng-
Robinson EOS.

Problem 2: Now modify the process described in Problem 1 by preheating the

feed stream to 315 °c with hot reactor product before entering the reactor.
Assume negligible pressure drop in both the tube and shell side of the
preheater. Compare the energy requirements between Problem 1 and Problem
2.
Problem 3: Sulfur dioxide is oxidized to sulfur trioxide (SO2 + ½ 02 ➔ SO3) in a
small pilot plant reactor. so2 and 100 % excess air are fed to the reactor
maintained at 450 C and 1 atm. The production rate of SO3 is 100 kmol/min.
Feed SO2 and air streams enter the reactor at 450 °C and 1 atm. The reaction
proceeds to a 65% SO2 conversion and the products emerge from the reactor at
550 oC.

The reactor is surrounded by a water jacket into which water enters at 25 oC

and exits at 40. Use the Peng-Robinson equation of state.

Calculate the heat of reaction

Calculate the product composition and molar flow rate of each component

Calculate the flow rate of cooling water if the temperature rise of cooling
water is to be kept below 15 C (1.e. at 40 °C).

Problem 4: Styrene is an important commercial monomer and is the feedstock

for a large number of polymeric materials. It is commercially produced by
catalytic dehydrogenation of ethylbenzene. i either adiabatic or isothermal
reactor over promoted iron-based catalyst. The reaction is highly endothermic
equilibrium limited.

Simulate a styrene reactor as (a) an adiabatic reactor and (b) an isothermal

reactor maintained at 250 C. The stream is pure ethylbenzene, 217 kmol/s at
880K and 1.378 bar. Assume 80% conversion in the reactor. Use Peng-Robinosn
equation of state.

1) For the adiabatic reactor, calculate the product temperature (229.7 C)

2) (ii) For the isothermal reactor, calculate the heating load on the reactor
3) {iii) For the adiabatic reactor, make a plot between feed temperature
(200 C-800 C)and reactor temperature
4) iv) For the isothermal reactor, make a plot between conversion (0-100%)
and heating load on the reactor. ( f Recator-CRVlOO:Variables: Rxn: Spec
Conv% [C0] and Heat Load in Databook)