CHAPTER 01: INTRODUCTION

1
In chemical engineering, process design is the choice and arrangement of units for desired physical and/or
chemical transformation of materials. Process design is epi-central to chemical engineering, and it can be
considered to be the median of that field, combining together all of the field's components.

Process design can be the design of new and modern facilities or it can be the modification or expansion of
existing facilities. The design begins at a conceptual level and ultimately gathered in the form of fabrication and
construction plans.

Process design is far different from equipment design, which is somewhat closer in spirit to the design of unit
operations. It often includes many unit operations.

Chemical process development is mainly focused on the development, scale-up and optimization of a chemical
synthetic pathways, which ends to be a safe, reproducible and economical chemical manufacturing
process. Following the identification of a target molecule by chemists, the initial stages of chemical process
development are laboratory based and focus on route scouting, i.e., investigating the best synthetic approach,
and in later stages, to produce larger investigative quantities of the molecule for additional studies (e.g., pre-
clinical and clinical studies in the pharmaceutical industry). After the synthesis route is chosen, the focus shifts
to scaling up the synthesis including defining the process design space, i.e., defining a set of variable and
parameters that result in a process that ensures a reliable, quality product.

Chemical process development activities focus on process understanding and control to supporting Quality by
Design objectives. Process variables that affect critical quality attributes of the product are defined, measured
and monitored as are those that optimize product yield. A Design of Experiment approach is often utilized to
aid in accomplishing these goals. Furthermore, Process Analytical Technology is employed to measure and
monitor those parameters that define key quality attributes as well as for supporting process optimization
studies. Scale-up efforts involve investigation into potential process hazards, understanding reaction
kinetics and thermodynamics, identifying and characterizing impurities, mixing and mass transfer studies, heat
transfer and heat removal studies as well as crystallization and polymorph control.

Chemical process development is important because it is the means by which a synthetic route is transformed
into a reliable, cost-efficient chemical process, yielding a high-quality product. In the Discovery phase,
chemists synthesize a small amount of a target compound and if preliminary studies look promising, there will
be a requirement for larger quantities of the compound. As the molecule moves to Development, chemists often
find that the Discovery Route is not the best choice for larger scale production since it may require expensive
2
reagents, be performed under challenging conditions or create potential safety hazards. Process chemists will
begin work on the development of a synthetic route that achieves the quantity, quality, safety, robustness, and
cost objectives that are required for larger scale synthesis. After the best route is selected, the focus is on
optimizing and scaling up the route. Work will begin on simplification, e.g., can steps be telescoped, identifying
a catalyst enabling the reaction to be performed under milder conditions, etc. Scale-dependent variables such
as dosing rates, mixing and mass transfer are investigated. There will be concerted effort on understanding
process limits and creating an effective design space for the process. Part of defining process limits is
investigating potential safety hazards and to ensure that exotherms generated by the reaction at scale are
understood and effectively controlled. As an element in an effective Quality by Design (QbD) strategy, online
PAT methods will be developed and deployed to ensure product quality via process reproducibility and stability.
Understanding how to effectively control the crystallization of a molecule is also a critical part of chemical
process development since it effects drug activity (e.g., polymorphism) as well as ease of filtering, isolating and
drying the final product.

Research &
development

Decision Process
making design

PROCESS
Training & SIMULATION Production
education planning

Process Operation
optimization

Figure 1: Aspects of process design

3
 1.1 OBJECTIVE OF DWSIM

 To evaluate the process design and development using an open-source software DWSIM.

 To examine the steps of mathematical modelling taking part on several types of processes and its simulations.

 To get the basic knowledge about design, development, analysis and optimization of technical processes used
in chemical and petrochemical process industries.

 It includes the simulations of forming, stamping, machining and other processes to determine the
manufacturability of the design as well as the effect of design changes upon the manufacturing method.

 To select the best process out of possible alternatives which fulfils economical, safety, technical and
environmental aspects and provide it for detailed design.

4
 1.2 PRINCIPLE OF DWSIM

It works on the principle of mathematical calculations for each unit operations as well as for unit processes,
which predicts the desired output as per given input.

That mathematical models are pre-installed in the software such as material and energy balances
thermodynamic models etc.

It based on the concept of modularity, which extends the chemical engineering concepts of the unit operation
to a “unit calculations” by the computer code responsible for the calculation of single process unit. The
computation of the flowsheet takes place unit by unit following a calculations sequence.

It works on the combination of sequential-modular and equation-oriented approaches.

Make a Model system

Real system model

Construct
Perform Perform approximate
experiments simulations theory

Simulation results Theoretical

Experimental results
predictions

Compare and Compare and

improve model improve theory

Figure 2: Overview of process simulation

5
 1.3 INTRODUCTION TO DWSIM

To perform process simulation using a process simulator:

Covert from a flowsheet to a simulation flowsheet, i.e., replace the process units with appropriate simulation
unit.

Model and solve the process unit equations – are subroutine is written for each process unit.

What are process flowsheets?

Process flowsheets are the language of chemical processes. They describe an existing process of the hypothetical
process in sufficient detail to convey the essential features.

A process flowsheet is a collection of icons to represent the flow of material to and from the units. It emphasizes
the flow of material and energy in a chemical process.

Figure 3: Overview of process flowsheet

6
 Typical Process Equipment

Figure 4: Typical process equipment’s used in DWSIM

7
CHAPTER 02: OPTIMIZATION OF FRACTIONAL
DISTILLATION USING DWSIM

8
 2.1 INTRODUCTION OF FRACTIONAL DISTILLATION
COLUMN

A fractionating column or fractional column is an essential item used in the distillation of liquid mixtures to
separate the mixture into its component parts, or fractions, based on the differences in volatilities. Fractionating
columns are used in small scale laboratory distillations as well as large scale industrial distillations.

Fractional distillation is one of the unit operations of chemical engineering. Fractionating columns are widely
used in the chemical process industries where large quantities of liquids have to be distilled. Such industries are
the petroleum processing, petrochemical production, natural gas processing, coal tar processing, liquid air
separation, and hydrogen solvent production and similar industries but it finds its widest application
in petroleum refineries. In such refineries, the crude oil feedstock is a complex, multicomponent mixture that
must be separated, and yields of pure chemical compounds are not expected, only groups of compounds within
a relatively small range of boiling points, also called fractions. That is the origin of the name fractional
distillation or fractionation. It is often not worthwhile separating the components in these fractions any further
based on product requirements and economics.

Figure 5: Schematic representation of industrial fractionating column

9
 Number of stages Condenser duty
It depends on the desired It is a heat exchanger use to condensate
purity and difficulty in the the vapor substance into a liquid state
separation. through condensing.

Feed location
The plate from which
the feed is entered in the Reflux ratio
column.
Ratio of liquid returned to
the column to the liquid
removed as a product.

Reboiler duty
Feed temperature
The sum of energy that is
The temperature at which the
used for the main purpose of
feed enters the column through
reboiler.
plate.

Figure 6: Components of fractionating column

10
 2.2 METHODOLOGY FOR OPTIMIZATION

• Problem statement-

A liquid mixture of benzene-toluene is to be distilled in a tower at 101.3kPa pressure. The feed of 100kmol/h is
liquid and it contains 45 mole % benzene and 55 mole % toluene and enters at 298 K (25°C). A distillate
containing 96 mole % benzene and 4 mole % toluene and bottoms containing 10 mole % benzene and 90 mole
% toluene is to be obtained. The reflux ratio is 4:1. Calculate the kmol/h of distillate and bottom product and
the number of plates required. Given q=1.21 and feed plate is 5 th from top.

Data:

TABLE 1: Mole fraction of light key and heavy key compounds

x 1 0.78 0.581 0.411 0.258 0.130 0

y 1 0.90 0.777 0.632 0.450 0.261 0

STEPS TO SOLVE THIS PROBLEM IN DWSIM

1) Select the compounds as benzene and toluene, select property package as a Raoult’s law and select C -5 as
units and change the units of pressure as kPa.

2) Add material Feed stream – Input data.

3) Select rigorous distillation column and add data.

4) In general category select the number of stages as 09 and rest parameters were placed as it is.

5) In specification part take the condenser pressure as 1.01325 bar reflux ratio as 4:1.

6) Select the feed locations (feed location at 5th tray).

7) In reboiler side select the specification as compound fraction in product stream and 0.1 as compound.

8) Execute the simulation.

11
 Figure 7: Flowsheet of fractional Distillation column

RESULTS

TABLE 2: Mole fraction of benzene and toluene in distillate and bottom

Master Property Table

Object Distillate Bottom product
Molar Fraction (Overall Liquid) / Benzene 0.967 0.100
Molar Fraction (Overall Liquid) / Toluene 0.032 0.899

TABLE 3: Condenser and reboiler duties of fractionating column

PROPERTIES TABLE
Reboiler duty Energy Flow 2059.24 kW

Condenser duty Energy Flow 1733.95 kW

DISCUSSION

We insert the number of plates as 9 (including condenser and reboiler) and get composition of benzene and
toluene as 0.96 and 0.04 respectively as mentioned in the given problem.

12
 2.3 OPTIMIZATION OF FRACTIONAL DISTILLATION

 Parameters for optimization:

1. Number of stages

2. Feed location

3. Reflux ratio

4. Reboiler duty and Condenser duty

5. Feed temperature (sensitivity analysis)

13
 PARAMETER: 1

 Aim –Find the optimum number of stages to get the mole fraction of benzene as 0.96 in distillate.

Optimization in number of stages. Feed location – 5th stage(fixed), Feed mole fraction- Benzene (0.45) and
Toluene (0.55) and Reflux ratio-4:1.

RESULTS

TABLE 4: Stage-wise mole fraction and condenser -reboiler duties of benzene and toluene

No. of stages Distillate Bottom Condenser duty Reboiler duty

(NOS) (KW) (KW)
7 B-0.826 B-0.100 2121.32 2443.05
T-0.173 T-0.899
8 B-0.932 B-0.100 1819.91 2144.32
T-0.067 T-0.899
9 B-0.967 B-0.100 1733.95 2059.24
T-0.032 T-0.899
10 B-0.980 B-0.099 1703.11 2028.72
T-0.019 T-0.9
11 B-0.986 B-0.1 1690.2 2015.94
T-0.013 T-0.9
12 B-0.989 B-0.099 1684.3 2010.11
T-0.010 T-0.9
15 B-0.991 B-0.099 1679.83 2005.67
T-0.008 T-0.9

14
GRAPHICAL ANALYSIS

BENZENE COMPOSITION ANALYSIS

No. of stages (NOS) Distillate Bottom

15
12
11
NO. OF STAGES

10
9
8
7

0.991
0.989
0.986
0.967
0.932
0.826

0.98
0.099

0.099

0.099
0.1

0.1

0.1

0.1
1 2 3 4 5 6 7
NO. OF ITERATIONS

Figure 8: Benzene composition analysis with respect to number of stages

REBOILER DUTY CONDENSER DUTY

3000 2500 No. of stages (NOS) condenser duty
2121
CONDENSER DUTY (kW)

2443
REBOILER DUTY (kW)

2500 2000 1820

2144 2059 2029 1734 1703 1690 1684 1680
2016 2010 2006
2000
1500
1500
1000
1000

500 500
7 8 9 10 11 12 15
0 0
7 8 9 10 11 12 15 1 2 3 4 5 6 7
NO. OF STAGES NO. OF STAGES

Figure 8 (a): Reboiler duty analysis Figure 8 (b): Condenser duty analysis

15
DISCUSSION

By increasing the number of stages, the purity of benzene in the distillate is increasing and purity of toluene is
increasing at the bottom. It will affect the cost, if number of stages increases – the cost of the distillation column
also increases. So, depending on the affordability one can choose the optimum no. of stages for installation.

REBOILER AND CONDENSER DUTY-

Increasing the number of stages will decrease the condenser and reboiler duty. So, the feed will spend more
time at the trays, the residence time in the reboiler and condenser will be less which led to low reboiler and
condenser duty.

16
 PARAMETER: 2

 Aim –Find the optimum feed location to get the maximum mole fraction of benzene in distillate.

Optimization in feed location, number of stages – 09 (fixed), Feed mole fraction- Benzene (0.45) and Toluene
(0.55) and q=1.21 (subcooled liquid).

RESULTS

TABLE 5: Tray-wise mole fraction and condenser -reboiler duties of benzene and toluene

Feed Distillate Bottom Condenser duty (kW) Reboiler duty (kW)

locations
7th tray B-0.902 B-0.099 1897.49 2221.17
T-0.097 T-0.900

6th tray B-0.960 B-0.100 1749.7 2074.81

T-0.039 T-0.899

5th tray B-0.967 B-0.100 1733.95 2059.24

T-0.032 T-0.899

4th tray B-0.963 B-0.099 1744.22 2069.38

T-0.036 T-0.900

3rd tray B-0.949 B-0.100 1776.66 2101.5

T-0.050 T-0.899

2nd tray B-0.922 B-0.099 1845.46 2169.62

T-0.077 T-0.900

17
 GRAPHICAL ANALYSIS

DISTILLATE
0.98
0.967
0.963
0.96
0.96
BENZENE(DISTILLATE)

0.949
MOLE FRACTION OF

0.94
0.922
0.92
0.902
0.9

0.88

0.86
2 3 4 5 6 7

FEED TRAY LOCATIONS

Figure 9: Benzene composition analysis with respect to feed trays

REBOILER DUTY CONDENSER DUTY

2250
CONDENSER DUTY (kW)

2221.17 1950
REBOILER DUTY (kW)

1897.49
2200 2169.62 1900
1845.46
2150 1850
2101.5
2100 1800 1776.66
2069.38 2070.81
2059.24 1744.22 1749.7
1733.95
1750
2050

1700
2000
1650
1950 2 3 4 5 6 7
2 3 4 5 6 7
FEED TRAY LOCATIONS
FEED TRAY LOCATIONS

Figure 9 (a): Reboiler duty analysis Figure 9 (b): Condenser duty analysis

18
DISCUSSION

5th tray position is that position where we get the maximum separation with respect to the others. At second tray
entrainment occur (As here liquid flow rate is less than vapor so vapor will entrain the liquid from the distillation
column or split some part of liquid out of the tray).

After the 5th tray, the problem of weeping (At low gas velocity, most of the liquid may rain down through the
openings of the tray). That’s why the mole fraction of the benzene is decreasing from the 6 th tray location.

REBOILER AND CONDENSER DUTY-

From the graph we analyze that, if we are moving from 2 nd tray to 5th tray, the reboiler and condenser duty
decreases continuously. Now from 5th tray to 7th tray the reboiler and condenser duty increases drastically
because of the more load.

19
 PARAMETER: 3

 Aim –Find the optimum reflux ratio to get the maximum mole fraction of benzene in distillate as 0.96.

Optimization in reflux ratio, number of stages – 09 (fixed), Feed mole fraction- Benzene (0.45) and Toluene
(0.55). q=1.21 (subcooled liquid) and feed location – 5th stage(fixed).

RESULTS

TABLE 6: Reflux-wise mole fraction and condenser -reboiler duties of benzene and toluene

Reflux Distillate Bottom Condenser Duty Reboiler Duty

ratio (kW) (kW)
2 B-0.901 B-0.099 1140.02 1336.65
T-0.098 T-0.900
3 B-0.948 B-0.100 1424.2 1621.98
T-0.051 T-0.899
4 B-0.966 B-0.099 1737.4 1935.63
T-0.033 T-0.900
5 B-0.974 B-0.100 2061.36 2259.79
T-0.025 T-0.899

6 B-0.979 B-0.099 2389.68 2588.23

T-0.020 T-0.900
7 B-0.982 B-0.099 2720.28 2918.89
T-0.017 T-0.900
8 B-0.984 B-0.099 3051.82 3250.49
T-0.015 T-0.900

20
GRAPHICAL ANALYSIS

DISTILLATE
1
MOLE FRACTION OF BENZENE(DISTILLATE)

0.982 0.984
0.979
0.974
0.98
0.966

0.96 0.948

0.94

0.92
0.901
0.9

0.88

0.86

0.84
2 3 4 5 6 7 8
REFLUX RATIO

Figure 10: Benzene composition analysis with respect to reflux ratio

REBOILER DUTY CONDENSER DUTY

3500 3250.49 3500
3051.82
2918.89
3000 3000 2720.28
2588.23
CONDENSER DUTY(kW)
REBOILER DUTY(kW)

2389.68
2500 2259.79 2500
2061.36
1935.63
2000 2000 1737.4
1621.98
1336.65 1424.2
1500 1500 1140.02

1000 1000

500 500

0 0
2 3 4 5 6 7 8 2 3 4 5 6 7 8

REFLUX RATIO REFLUX RATIO

Figure 10 (a): Reboiler duty analysis Figure 10 (b): Condenser duty analysis

21
DISCUSSION

Reflux ratio = L/D = Condensate back to column /distillate discarded from column.

On increasing the reflux ratio, the purity (mol fraction of desired component) of overhead product increases.
But at the same time the condenser and the reboiler load of the distillation column increases. It means the cost
of the process goes up. Being a chemical engineer, we choose to keep the process economical so we have an
optimum reflux ratio in operation at which profit is maximum.

22
 PARAMETER: 4

 Aim – Sensitivity analysis on feed temperature.

Optimization in feed temperature, number of stages – 09 (fixed), q=1.21 (subcooled liquid) and feed location –
5th stage(fixed).

RESULTS

TABLE 7: Variation of reboiler duty with feed temperature

Feed - Temperature (C) Distillation column - Reboiler Duty (kW)

25 2028.72

27.5 2018.56

30 2008.33

32.5 1998.05

35 1987.07

GRAPHICAL ANALYSIS

REBOILER DUTY
2040
2028.72
2030
2018.56
REBOILER DUTY (kW)

2020
2008.33
2010
1998.05
2000
1987.7
1990

1980

1970

1960
25 27.5 30 32.5 35

FEED TEMPERATURE (°C)

Figure 11: Reboiler duty analysis with respect to feed temperature

23
 Figure 12: A screenshot of feed temperature sensitivity analysis in DWSIM

DISCUSSION

Temperature sensitivity analysis shows the variation of reboiler duty with increase in feed temperature.

Depending on the feed conditions like (subcooled liquid, saturated liquid, partially vapor, saturated vapor and
superheated vapor) the reboiler works. Graph and values replicate that, with increase in feed temperature the
reboiler duty will be less.

24
OVERALL CONCLUSION OF OPTIMIZATION

This conclusion shows the optimum values of each parameter with respect to its effectiveness and gives us the
idea to minimize the overall cost.

TABLE 8: Overall optimum values

Parameters Optimum values

Number of stages 09

Feed tray location 5th tray

Reflux ratio 4:1

Feed temperature 25°C

These optimum values will give the best outcome which is the purest benzene at distillate with minimum
operating and fixed cost. This optimization implies that, if we change the values of independent variables then
the dependent values will fluctuate accordingly. This conclusion also tells us about the background operations
which are also very impactful for the process to be feasible. DWSIM gives us the ease that without visiting any
plant or without performing any processes we can get the overall expertise that this particular process in the
industry will be feasible or not.

These results shows that the given problem comprises of different parameter will possible or not in the sense of
occurring and we find an answer that it is perfectly feasible under given optimum values or conditions.

25
CHAPTER 03: UNIT PROCESS AND UNIT OPERATIONS
STUDIES USING DWSIM

26
 3.1 MASS TRANSFER EQUIPMENT

CASE 01: ABSORPTION COLUMN

Aim: To calculate fraction of gas absorbed as per the given input data in order to analyse the absorption column
to point out optimum parameters.

 Parameters on which absorption efficiency and height of column depends upon:

 Solubility and nature of solvent

 Temperature of column

 Pressure of column

 Optimum solvent flowrate

PROBLEM STATEMENT

TABLE 9: Available values for absorption column

Streams Absorbent Oil Feed Gas

Mass Flow 12750 kg/h 11840 kg/h

Temperature 32 ⁰C 41 ⁰C

Pressure 28 bar 28 bar

TABLE 10: Property package and mole fractions of components

Package Peng-Robinson
Absorbent Oil Feed Gas
XCH₄ = 0 XCH₄ = 0.2
XC₂H₆ = 0 XC₂H₆ = 0.4625
XC₃H₆ = 0 XC₃H₆ = 0.3
Mole
XC₄H₁₀ = 0 XC₄H₁₀ = 0.0315
Fraction
XC₅H₁₂ = 0 XC₅H₁₂ = 0.00625
XC₁₂H₂₆ = 1 XC₁₂H₂₆ = 0

27
STEPS:

 Specify the conditions and Parameters as well as add the Feed Stream location and Product Streams
locations.

 Solve the flowsheet and create the master property table which will reflect the result of the simulation.

FLOWSHEET

Figure 13: Absorption column flowsheet

RESULTS

TABLE 11: Mole fractions of lean gas and rich oil

Compound Lean gas amount Rich oil amount

Methane 0.1832 0.033

Ethane 0.398 0.265

Propane 0.228 0.408

N-Butane 0.017 0.093

N-Pentane 0.001 0.0323

N-Dodecane 0.171 0.165

28
DISCUSSION

Here for given inputs conditions after simulation calculations the fractions of propane and ethane got absorbed
for 6 stages are 0.265 and 0.408.

29
 3.2 UNIT PROCESS
(CHEMICAL REACTION ENGINEERING)

CASE 1: CONTINUOUS STIRRED TANK REACTOR (CSTR)

Aim: To evaluate the behaviour of CSTR in order to analyse conversion, space time and optimize accordingly
using production of butyl acetate from methyl acetate butanol.

 The conversion of the CSTR depend on the following factors:

 Temperature of Reaction

 Concentration of Reactant

 Kinetics of Reaction

 Space Time

PROBLEM STATEMENT

Reaction - CH₃COOCH₃ + CH₃(CH₂)₃OH CH₃OH + CH₃COO(CH₂)₃CH₃ (REVERSIBLE)

Data – Temprature-305 ⁰K, Pressure-15atm, Reactor Volume-2m³

A = 7000000 E = 71960

A = 9467000 E = 72670

STEPS:

 Specify the reactant and product stoichiometry on the basic of direct and reversible order.

 With the help of Arrhenius equation complete the simulation.

30
FLOWSHEET

Figure 14: Continuous stirrer tank reactor flowsheet

RESULTS

TABLE 12: Mixed property results of CSTR

CSTR-01 Operating Pressure 0 atm

CSTR-01 Liquid Level 0 m
CSTR-01 Height 1 m
CSTR-01 Minimum Pressure 101325 atm
CSTR-01 Pressure Drop 0 Atm
CSTR-01 Residence Time 0.092 H
CSTR-01 Volume 2 m³
CSTR-01 Methyl Acetate Conversion 36.84 %
CSTR-01 1-butanol: conversion 55.26 %
CSTR-01 Butylacetate from methylacetate and n- 55.28 Kmol/h
butanol: extent
CSTR-01 Butylacetate from methylacetate and n- 27.64 Kmol/[m³.h]
butanol: rate
CSTR-01 Butylacetate from methylacetate and n- -0.61 KW
butanol: heat

31
TABLE 13: Flowrates of streams

Object Water Water MSTR-04 MSTR-03 MSTR-02

Outlet Inlet

Pressure 0.273 1.01 0.273 4.45 0.960 bar

Mass Flow 14954.7 14954.7 14954.7 14954.7 14954.7 Kg/h

Molar Flow 830.11 830.11 830.11 830.11 830.11 kmol/h

Volumetric Flow 15 14.99 15 14.99 14.99 M³/h

DISCUSSION

After performing the simulation, the conversation obtained for CSTR is 2m³ volume and space time of 0.092124
hr is 55%(Butanol) and 36.8406%(Acetate).

32
CASE 02: PLUG FLOW REACTOR (PFR)

Aim: To understand the behaviour of PFR parameter and to find out conversion according to given problem
statement.

 The main purpose of PFR on which conversion depend are as following:

 Temperature of reactor

 Initial Concentration

 Residence Time

 Volume of Reactor

PROBLEM SATEMENT

Reaction: 2CH₂OH(g) H₃ - O - CH₃(g) + H₂O(g)

Methanol:100 kg/hr

Pressure: 25 bar

Temperature: 300 ⁰C

Reactor Volume: 8 m³

Reactor Length: 1 m

Catalyst loading: 0.6 kg/m³

Catalyst particle diameter: 3 nm

Catalyst void fraction: 0.3

STEPS:

 Select the material stream and fill the data as given in the problem.

 Specify the stoichiometry, basis as partial pressure and phase vapor.

 Now select the PFR and specify the condition as reactor volume, length, catalyst size.

33
FLOWSHEET

Figure 15: Plug flow reactor flowsheet

RESULTS

TABLE 14: Mixed property results of PFR

PFR-01 Pressure Drop 5.05 Bar

PFR-01 Residence time 1.45 H
PFR-01 Volume 8 m³

PFR-01 Length 1 m
PFR-01 Catalytic loading 0.6 Kg/m³

PFR-01 Catalyst Diameter 3 mm

PFR-01 Catalyst Void Fraction 0.6

PFR-01 Diameter 3191.54 mm

PFR-01 Methanol: Conversion 33.38 %
PFR-01 Water: Conversion 0 %
PFR-01 Reaction Extent 0.00052 Kmol/h
PFR-01 Reaction Rate 6.51 Kmol/[m³.h]
PFR-01 Reaction Heat -1.73 KW

DISCUSSION

For Given condition’s, conversion of methanol is 33.384% for volume of 8 m³ and length is 1 m.

34
 3.3 FLUID TRANSPORT DEVICE

CASE 1: PUMP

Aim: To analyse various parameters of pump and to optimize it with having minimum power requirement as
per given input.

 Pump power requirement to achieve required head and capacity depend upon following factors:

 Available NPSH

 Pressure dropped required (including all types of loss)

 Efficiency of pump

PROBLEM STATEMENT

Tank volume – 15m³ (Which fills in 1 hour)

Inlet pressure – 1atm

Pipe line Specs – 2inch sch 40 (carbon Steel)

FIND OUT:

Pump Power Requirement =?

Available NPSH =?

Pressure drop =?

STEPS:

 Specify the inlet stream, pipe segment, pump and tank.

 Run the flowsheet and get the residence time.

 If we are getting residence time more than expected, then apply the controller with set point of 1hr and by
increasing the flowrate by 10000 kg/hr.

35
FLOWSHEET

Figure 16: Pump flowsheet

RESULT

TABLE 15: Mixed property results of pump

PROPERTIES TABLE
TANK-01 Residence Time 1 h
TANK-01 Volume 15 m3
TANK-01 Pressure Drop 0 bar
TANK-01 Reset Content 0
TANK-01 Initialize using Inlet Stream 0
TANK-01 Height 2 m
TANK-01 Liquid Level 0 m
WATER OUTLET Pressure 0.273276 bar
PUMP-01 Available NPSH 9.49711 m
PUMP-01 Outlet Pressure 4.45 bar
PUMP-01 Power Required 1.93842 kW
PUMP-01 Pressure Increase (Head) 3.48939 bar
PUMP-01 Efficiency 75

36
DISCUSSION

The simulated values of various parameters accordingly to given input are:

Pump Power Requirement = 1.49711 m

Available NPSH = 9.49711 m

Pressure drop = 4.45 bar

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 3.4 HEAT TRANSPORT DEVICE

CASE 01: HEAT EXCHANGER

Aim: For Given input conditions as per problem statement to find out maximum possible heat duty, LMTD and
thermal efficiency for given shell and tube heat exchanger.

 The heat duty depends on the following parameters:

 Area of heat exchanger

 Number of tubes

 Logarithmic mean temperature difference

 Velocity of fluids

 Thermal efficiency of heat exchanger

PROBLEM STATEMENT

TABLE 16: Predefined values for water and methanol

Compound Water Methanol

Inlet Stream Cold(H₂O) Hot (CH₃OH)

Mass Flow 1500 kg/hr 2500 kg/hr

Mole Fraction XCH₃OH = 0 XCH₃OH = 1

Mole Fraction XH₂O = 1 XH₂O = 0

Temperature 10 ⁰C 80 ⁰C

Pressure 1 bar 5 bar

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TABLE 17: Property data for heat exchanger

Flow Type Counter Current

Overall HT Content 450 W/[m².K]

Heat Exchanger Area 250 m²

Cold Fluid Pressure Drop 0.002 bar

Hot Fluid Pressure Drop 0.025 bar

Package Raoult’s Law

STEPS:

 Introduce inlet stream, heat exchanger and outlet stream.

 Select outlet temperature calculation’s and take direction as counter-current.

 Run the simulations and we will get the desired value.

FLOWSHEET

Figure 17: Heat exchanger flowsheet

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RESULTS

TABLE 18: Results of heat exchanger simulation

Property Value Units

Maximum heat exchange 2056.94 kW
Thermal efficiency 84.3983 %
Log mean temperature difference 15.4313 C

DISCUSSION

As per the given conditions the maximum possible heat transfer is 2056.94 KW, thermal efficiency is 84.3983%
and LMTD is 15.4313 ⁰C.

40
CHAPTER 04: CONCLUSION

41
INTRODUCTION TO DWSIM
It gives the overall idea of process simulation and design using the cape-open software DWSIM. This chapter
mainly emphasis the overall aspects of process simulation and design in the different fields of work whether it
is related to engineering or non-engineering. Every software is comprising of numerous functions which help
that particular software to execute the simulation. Basics of each function and equipment’s are well discussed
in this particular section.

OPTIMIZATION OF FRACTIONAL DISTILLATION USING

DWSIM
This chapter is based on optimization of fractional distillation column using the software DWSIM. Fractional
distillation is very important equipment used rigorously in the field of petroleum industries. Overview of
fractional distillation is included in this section and optimization is carried out by taking some numerical values
as a reference. The particular aim of this chapter is to find the optimum parameters on which this column can
operated to provide us the best performance at the expense of low cost. By performing the simulation on
DWSIM we can easily conclude that the values provided in the results section will give us the best result with
maximum purity and minimum cost. The graphs also replicate the same outcome and gives the optimum values
for condenser and reboiler to be maintained to get the minimum operating cost.

UNIT PROCESS AND UNIT OPERATIONS STUDIES USING

DWSIM

This chapter is based on unit process and unit operation studies using the software DWSIM. Different problems
from the branch of chemical engineering are taken as a reference and simulations were carried out which gives
the better understanding of physical occurrence of particular processes related to mass transfer, reactors
involved in chemical reaction engineering, fluid transport device and heat transport device.

3.1 Mass transfer equipment

Case 1: This part is based on the study of mass transfer equipment known as absorption column. Simulation is
carried out by taking the values given in the problem statement as reference. This simulation involves the cape-
open interface for providing the number of stages.

3.2 Unit process (Chemical reaction engineering)

Case 1: It involves the study of continuous stirred tank reactor with the help of process simulation for the
evaluation of the behaviour of CSTR in order to analyse conversion, space time and optimize accordingly using

42
production of butyl acetate from methyl acetate butanol. Simulation of this problem involves different reactions
input for the calculations of rate constant and order of the reaction for getting the values such as conversion,
space time, residence time, etc.

Case 2: This case involves the understanding of behaviour of plug flow reactor for the production of butyl
acetate from methyl acetate butanol. The input parameters such as reactor length, temperature, catalyst void
fraction and the reaction kinetics plays a very important role for the execution of this problem statement in any
software. The results from this simulation are pointing towards the good conversion in PFR for the same
problem comparing with CSTR.

3.3 Fluid transport device

Case 1: Particularly in fluid transport device, simulation is carried out on a pump which used to transport the
streams from one point to another point at the expense of pressure difference. The input data is comprising of
pipe dimensions and specification, tank specifications and material streams specification. After performing this
simulation, we can conclude that DWSIM can also able to execute the simulations of real-world problems as
well by providing us the values of Net positive suction head (NPSH), pressure drop and most important power
required to carried out this operation.

3.4 Heat transport device

Case 1: Heat exchanger is the most frequently used heat transport device in the most of the chemical or non-
chemical industries. This simulation required the numerous values for the input as the designing of heat
exchanger is being also a corelative part of simulation. The values like tube pitch, tube size, shell size and all
the designing parameters are involved in this simulation. The calculations of Logarithmic mean temperature
difference (LMTD), flow rates of streams, power required, tube side and shell side heat transfer coefficients,
etc are some of the important parameters to be calculated before performing it physically. DWSIM gives the
best results for the given problem and if we look on a broader side, DWSIM is the simplest software in which
complex processes and equipment design can carried out easily with some basic knowledge.

43
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