Introduction to Computing

s Application
CSI-321

s
Assignment #1

Assignment Title:
Basics of Different Software For
solving Chemistry Problems

Prepared by:
Saira Nabi
Roll No 102

Submitted To:
MS Ambreen
 Introduction
 In 1948 graduate students in the department of chemical engineering at the university of Michigan
began to use the digital computer in their doctoral research.
 Digital computers became available in early 1950.
 Development of Fortran language in 1957.
 Fortran has dominated the computationally intensive areas. These computational areas include finite
element analysis, computational chemistry, geophysics, numerical weather predictions,
crystallography, computational physics, and computational fluid dynamics.

List of Software’s That are used to solve Chemistry problems:

 Ariane
 Aspen Plus
 Aspen HYSYS
 MATLAB
 Batch Column
 Batch Reactor
 CHEMCAD

Detail of Software’s

Ariane:
Ariane is a decision supportive software dedicated to the management of plants that produces energy under
the form of Utilities (Steam, Hot water). It is developed by Prosim. It is used in Utility Management and plant
optimization.

Flowsheet example of gas turbine in Ariane

Aspen Plus:
Aspen plus is the original process simulation software developed by aspen tech in 1990.it is a model that is
used in chemical industries for process development.it is the processing model tool for conceptual design,
optimization, performance monitoring for the chemicals, metal mineral and coal power industries.

Aspen HYSYS:
It is process modeling tool for;

 Steady state simulation

 Design performance monitoring
 Optimization and business planning for petroleum and oil industry.
 Petroleum refining industries.
 It used only in refineries in the processes like CIP (Clean -in -place).

Aspen HYSYS model of the reactive distillation column for fuel additive production
ChemCad:
CHEMCAD is an integrated suite of intuitive chemical process simulation software that fits into the chemical
engineering workflow and supercharges an engineer's efficiency. Perhaps most significantly, it continues to
evolve to meet the ever-expanding needs of chemical engineers.

BENEFITS:

 Highly customizable, flexible, and affordable.

 All modules work within a single graphical user interface for seamless interaction.
 Adapts to how you approach engineering challenges.
 Appealing graphics and reports are easy to export to third-party software.
 Easily integrates into chemical engineering computing environment.
 Personalized technical support second to none.

CHEMCAD Features
 User-customizable panes.
 Workspace to create and work with process flow diagrams (PFDs).
 Message pane that displays diagnostics as you work with a simulation.
 CHEMCAD Explorer pane that makes navigating simulations easy.
 Palette pane for easy drag-and-drop access to unit operations and symbols.
 Tabbed command ribbon that provides easy access to common tasks.

The scheme of the installation modeled in the Chemcad 7. (Stream numbers in

rectangular frames, equipment in rounded frames.)

MATLAB:
MATLAB is a programming and numeric computing platform used by millions of engineers and scientists to
analyze data, develop algorithms, and create models. MATLAB combines a desktop environment tuned for
iterative analysis and design processes with a programming language that expresses matrix and array
mathematics directly. It includes the Live Editor for creating scripts that combine code, output, and formatted
text in an executable notebook.
 The MATLAB System
The MATLAB system consists of five main parts:

The MATLAB language.

This is a high-level matrix/array language with control flow statements, functions, data structures,
input/output, and object-oriented programming features. It allows both "programming in the small" to rapidly
create quick and dirty throw-away programs, and "programming in the large" to create complete large and
complex application programs.

The MATLAB working environment.

This is the set of tools and facilities that you work with as the MATLAB user or programmer. It includes
facilities for managing the variables in your workspace and importing and exporting data. It also includes tools
for developing, managing, debugging, and profiling M-files, MATLAB's applications.

Handle Graphics.

This is the MATLAB graphics system. It includes high-level commands for two-dimensional and three-
dimensional data visualization, image processing, animation, and presentation graphics. It also includes low-
level commands that allow you to fully customize the appearance of graphics as well as to build complete
Graphical User Interfaces on your MATLAB applications.

The MATLAB mathematical function library.

This is a vast collection of computational algorithms ranging from elementary functions like sum, sine, cosine,
and complex arithmetic, to more sophisticated functions like matrix inverse, matrix eigenvalues, Bessel
functions, and fast Fourier transforms.

The MATLAB Application Program Interface (API).

This is a library that allows you to write C and Fortran programs that interact with MATLAB. It includes
facilities for calling routines from MATLAB (dynamic linking), calling MATLAB as a computational engine,
and for reading and writing MAT-files.
ANSYS:
Regardless of industry, product type, or organization size, Ansys provides a flexible offering to deliver the
best value for you and your engineering team.

With Ansys simulation software, engineers can seamlessly transfer design models across the suite of products
and run desired testing models to validate real-world physical interactions. Your imagination is the only limit
to Ansys’s Multiphysics capabilities.

Utilizing Ansys engineering simulation software, engineers can rapidly innovate and easily validate design
ideas predicting the future of transformational products.

Flow chart of the coupling system in ANSYS.

Conclusion:
From the above discussion we have been learnt the all these software’s are necessary to cut cost in the
industries and these software’s are also helpful to work with precision.

THE END