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Role of Software in Chemical Engineering


The present day man finds himself at the start of an computer era.

Now the emphasis is shifted. From the physical labour required by industries to

mental labour needed to sustain the new information revolution. Software

technology has influenced each and every field.

Now a days Chemical Engg. has been effectively influenced by the

software field. Manufacturing processes and designing are highly automised by

software application. Different reactors and processors are designed by softwares.

Reaction condition such as temp. adjustment. Feed rate conc. of solution initial and

final conc. of reactants and products all can be handed accurately by softwares.

In manufacturing plants the automisation and easy execution are

necessary. For this a planned program with all minor details is fed in computer

memory. In program instructions are given for temporary control so that the whole

process is executed in proper way.

Consider a reaction A+B → C for this reaction a software program is

fed to computer hardwork with all details. The equipments for process will

connected by computer. If we perform all these function manually then it may carry

some error deflecting the process efficiency. But errors can be eliminated by

automisation. It is very important to check the contents and concentration of

contents in a waste. This can be handled by a software managed monitoring system

more efficiently.

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Role of Software in Chemical Engineering

Software is a sequential program fed to computer hardware in

which instruction are given for execution of each operation. Program contains the

details like detail schedule, starting and closing time for equipment. As the software

program is executed step by step corresponding operations are done.

Hence just for proceeding of a batch process a software is loaded on

hardware and execution starts with complete efficiency.

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Role of Software in Chemical Engineering


Today hundreds of softwares are available each having its own.

Importance - softwares are available for safety measurements then some are for

manufacturing automisation. Some are used to detect toxic nature of waste removed

and every operation of process industry by softwares. In this article we will see

some of them.


In the family of pro - Designers, it consists -

1) Batch - pro designer.

2) Super - pro designer.

3) Bio - pro designer.

4) Environ - pro designer.

This software is loaded with powerful features of modeling,

visualizing and optimizing integrated batch processes. Scientist in pharmaceutical

biotechnical and food industries use such software.

By pro - designer using for modeling and water purification and waste

water treatment processes can be done.


a) Adjacent flowsheet shows a typical chemical process uses automization technique.

Now we will see the different aspects of this automization.

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Role of Software in Chemical Engineering

b) Implementation of Unit

A unit procedures is a set of operation that takes place sequentially as

set by the software with the help of equipments which are reaction vessels and filter

for instance in p - 1 vessel to which we say as a reactor vessel in which we feed S -

102 and S - 103 and Heptane is added and reaction is done here for a specific time

with the help of stirrer. The specific time can be feed as per required for a different

reaction then S-104 is collected from upper section and S-105 is collected at the

bottom then it transfers for filtration process where filtration process takes place and

it will separated in different parts such as S-107, S-108 and cake.

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Role of Software in Chemical Engineering

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Role of Software in Chemical Engineering

c) New Features for Water Purification Using Super Pro-Designer.

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Role of Software in Chemical Engineering

This software is sponsored by Lucent Technology.

The system required for super pro-designer software are MS-Window


To day a number of new procedure models have been used. For water

purification and ultrapure water production process. The list includes the following -

ion Exchange, Activated carbon Adsorption, Ultraviolet Radiation and


Filtration unit having in mind the requirements for modeling water

purification process. This software facilated evaluation and optimization of water

purification and waste water treatment processes.

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Role of Software in Chemical Engineering

1) Granular Medium Filtration

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Role of Software in Chemical Engineering

This is most important principle unit operation in water treatment that

can be removes of suspended solids from water using granular media which may be

single media, dual media as per requirement.

2) Cation Exchange

Is a unit process by which ions of given water can be removed with

the help of cationic exchange resine. This removes mostly contents of hardness of


3) Ultraviolet Radiation

It is use for disinfecanent of water. A special lamp that emits

ultraviolet radiation which have been used successfully for disinfecanent. The effect

of process dep on the penetration of rays into water.

4) Degasification :-

It means selective destruction of diseases causing organic ions. And

the most common method of degasification of water is by addition of chlorine.

5) Reverse Osmosis

Is process in which water is separated from dissolved salts in solution

by filtering through a semipermable membrane at a higher pressure.

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Role of Software in Chemical Engineering

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Role of Software in Chemical Engineering

Salient Features of Pro-Designer Software :

• Intuitive Graphical interface.

• Rigorous batch reactor modules.

• Extensive large component database.

• Material and Energy balances.

• Estimation of equipment size and purchase cost.

• Scheduling of batch operators.

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Role of Software in Chemical Engineering


For Equipment Utilisation

This software can be used for equipment utilisation. With the help

this software we can utilises the equipment time to time without any labour. They

can be work start and stop automatically. Here we take an example of a batch

process of three batch reactors. In the chart, Blank space represent idle time and

three rectors are represented by three diff. colours.

This software can mostly used in industries of food and biotech.


Design - 2 is a software developed by German Scientist. Costs near

about Rs 40 lakhs software includes various designing required in chemical process


Design - 2 can be worked on windows - 98.

Design - 2 is to be provided with the type of reactor required for any

reaction with some details. It requires type of reactants, capacity of reactor and end

concentrations of reactants and it will provide us with all details of reactor

dimensions, type of metal, dimensions of jackets, ( for cooling, purpose ), type of

heating device further more.

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Role of Software in Chemical Engineering

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Role of Software in Chemical Engineering

Design - 2 will give very minute information. Such as type at

welding to be used, type of bolts, dimensions and metal for bolts.

It we want to design any separation unit such as distillation tower,

Filtration tower, then we will have to provide initial and final concentrations of

liquiors. Software will design the tower and will supply the information. For

distillation column, it will give even number of plates to be used with column and

plate dimension.

In these way, design - 2 participates in automizing and early executing

the designing methods.


This is the software used by rocket scientists, brain surgeons,

engineers and other intelligent people to compute answers of the most difficult

problems. Maple 6 is the software for student in science, engineering and for


Maple 6 knows everything about algebra, calculus, vectors,

differential equations and solving chemical engg. problems mathematically.

In partnership with Numerical Algorithm Group (NAG)

Maple 6 includes an extensive set of (NAG) solves for computational, linear algebra.

Hence Maple 6 is an indispensable package for solving problems from all technical


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Role of Software in Chemical Engineering


PD-PLUS is a very fast, large-capacity, exceedingly robust program

for simulating chemical processes, including refinery systems and non-ideal

chemicals. It handles multiple-operation flowsheets with recycle streams. An

interactive mode provides complete user control of the simulation and rapid

evaluation of different process conditions. PD-PLUS may be interfaced with or

driven by other software packages easily.

PD-PLUS is developed and maintained using the Fortran compliers

from Lahey Computer Systems, but is easily ported to other systems. The complete

program or subsets, such as physical properties and the column facility, may be

licensed in Fortran source form.

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Role of Software in Chemical Engineering




Physical properties like densities, viscosities, vapour pressure,

thermal conductivity, surface tension and heat capacity can be predicted by this


(http: // www. molknow.com )

2) ROHR 2 :

Static and dynamic analysis of complex 3 D piping system and

general framework can be carried by this software.

( http://www.vistra.com)


This 32 bit windows 951 NT version is used for designing and

analysis of pressure vessels.

( http:// www codeware. com )

4) CODE CALC 6.0 :

Enhancements in design and analysis of pressure vessels and heat


( http:// www.coade.com )

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Role of Software in Chemical Engineering


This software can track all ingredients of chemical by common name

or CA3 no as well as automatically compare ingredients concentration level.

( http:// www. dolphinmsds.com)


Two methods are offered by this software for sizing and selecting

valves for above ground and storage tank venting applications.

( http : // www. whesso vare(.com)

7) TASC :

New capabilities of this application for shell and tube heat exchange

modeling allows for single-phase. sub - cooled boiling, superheating, condensing.

( http : // www. hyprotech.com )


Can be applied for accident data analysis, spil risk analysis corrosion

risk monitoring.


This software can be used for ion-exchange water treatment plant

assists in evaluating water analysis data.

10) PHA WORKS 4.00 :

This process hazards analysis software guides users through initial

process hazards that may occur in the plant.

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Role of Software in Chemical Engineering


Up to date performance and qualification records and continuity logs

for welders can be maintain by this software.


The plant floor automation software comparison CD-ROM enable

perspective software buyers to locate suppliers build custom specification compare

system and create customise request for proposals and request for information.

13) PROACT :

Based on the companies root cause failure analysis method.

PROACT takes step by step to the process of identifying, analysing and

recommending solutions to recurring equipment and system failure.


Designed for multivariable modeling, Calibration and prediction

version 6.11 can discover sample pattern. Fine variable relationship and show

information and visual inspection of data.

15) SIMPL :

Flowing pressures, temperatures, liquid hold up velocities and flow

pattern for any petroleum based gas, oil - water or multi phase fluid that flows in a

pipe can be calculated by this package.

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Role of Software in Chemical Engineering


From the above discussion, one will definitely come to know the

usability of software. Different benefits provided by them have created revolution.

If one goes on counting the applications of software then it will have no end.

Processes handled by software, if compared with old processes then

there will be difference of miles.

Particularly speaking about chemical Engg. process plants. Software

having numerous applications. Now a days these software are becoming more and

more user and reducing a lot of time.

Lastly, no doubt, software have become absolutely necessary for all

chemical processes plant.

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Role of Software in Chemical Engineering






Waste water Eng. Treatment

- by George Tchobanoglous.

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