Koya University

Faculty of engineering
Chemical engineering department
Fourth stage

Process simulation

“The Applications of Engineering Simulation Software in Chemical

Engineering”

Name: Katya Ammanuel Toma

Supervisor: Ribwar Abdulrahman

2022-2023

1
Table of Contents
 Abstract...............................................................................................................................................3
 Introduction........................................................................................................................................4
• Literature Review:..............................................................................................................................5
 MATLAB...........................................................................................................................................6
 KOMPAS-3D.....................................................................................................................................6
Autodesk Digital Prototyping.................................................................................................................6
 Benefits...............................................................................................................................................6
Mythology.................................................................................................................................................7
• result...................................................................................................................................................7
• discussion............................................................................................................................................7
 Conclusion...........................................................................................................................................8
 References...........................................................................................................................................8

2
  Abstract

Process simulation is the representation of a chemical process by a mathematical model, which is

then solved to obtain information about the performance of the chemical process (Motard et al.,
1975). It is also known as process flow sheeting. Westerberg (1979) also defined flow sheeting
as the use of computer aids to perform steady-state heat and mass balancing, sizing, and costing
calculations for a chemical process.
the first step of setting up a process simulation is to define chemical components that involve in
the entire process. Note, however, that not all components are available in the database of the
simulation software. Hence, one will have to define/register the chemical component(s) before
one can make use of them in the simulation flowsheet. This may involve various types of
hypothetical and oil components. the registration of components in several important process
simulation software packages, i.e., Aspen HYSYS and PRO/II, are illustrated.
In these papers I mentioned or wrote about introduction or definition of chemical engineering
simulation software.
If I ask to myself when did simulation software start? I answered this question in bellow papers. I
also wrote about what are MATLAB, KOMPAS-3D, Autodesk Digital Prototyping? Also if we use
this process has many benefits which I mentioned and also I wrote the result with your opinion
which one is the best? And why? Supported by the accessible scientific researches, websites,
articles and books as much as possible Read it!!

3
 Introduction

Simulation Software the imitation of the operation of a real-world process or system over time.
Simulations require the use of models; the model represents the key characteristics or
behaviors of the selected system or process, whereas the simulation represents the evolution
of the model over time. simulation software was used almost exclusively in the fields of
industrial engineering and statistics. In the 1960s, conducting simulations on large mainframe
computers was a difficult task. However, by the early 2000s business professionals in many
different industries were using simulation software to model different business scenarios and
solve problems. For the most successful companies however there is many software programs
that makes the simulation software selection process regarded as one of the most critical
milestones in simulation projects. Along with project goals, there are many considerations that
should be taken into account while selecting the simulation package. The classification of the
criteria into groups and sub-groups is an effective way to organize the list different features
that should be considered in the evaluation process. The criteria can be classified twofold:
technical criteria and business criteria.
Process Systems Engineering is a branch of chemical engineering focused on design, operation,
control, optimization of general chemical reactions and separations, petroleum refining,
agricultural production, pharmaceutical production, and other aspects. Also, one of the most
important tools of the Engineering Process System is the Chemical Process Simulation Software
(CPSS). In particular, it is used in the design and optimization of chemicals, and petroleum
separation and operations. Chemistry Process design and optimization is computationally
intensive, and in the pre-digital computer era, computations were voluminous, difficult to
complete, and error-prone after a few days. If an error occurs in the middle of the process
calculation, the will lead to bad results that are far from correct. After a bad result, resuming
computation for participant turns into disaster. With the development of computer technology
and the energy shortages of the 1970s, many chemical engineers and professors started
developing small programs to calculate chemical processes. Massachusetts Institute of
Technology (MIT) is the first normalized organization to develop the Comprehensive His CPSS
with the help of the US Department of Energy and many MIT geniuses. Aspen is created and
used by researchers around the world. After Aspen was established, many other companies
also produced his famous products, such as Hysys, ProII, and PetroSim. Each software company
has certain advantages and his capabilities related to thermodynamics and unit block
calculations, but different software cannot work together because the interface is
incompatible. All process simulation software should achieve equivalent modules, recreating
the is a waste of time. The commitment of software and the need for modular reuse led to the
development of the CAPE-OPEN standard, which has been widely adopted by many software
companies. CAPE-OPEN standards can be divided into Unit Operations, Thermodynamics
Modules, Petroleum Fractionation, and several other sub-branches. The author has a great
passion for his CPSS development and has many years of experience with process simulation
4
and his CAPE-OPEN, so the CPSS is developed according to his CAPE-OPEN standards.
• Literature Review:

Simulation modelling is the process of designing a model of a real system and conducting
experiments with this model for the purpose of either understanding the behavior of the
system or of evaluating various operating strategies of the system, the main types of simulation
can be distinguished on the basis of changing the state of the system through time. The state of
the system can be changed at discrete time points (discrete event simulation), it can be
changed continuously (continuous simulation), or it can combine both discrete and continuous
changes (combined discrete/continuous simulation). In this thesis the term 'simulation' is used
to refer to discrete event simulation.
The history of computer simulation dates back to World War II when two mathematicians Jon
von Neumann and Stanislaw Ulam were faced with the puzzling problem of behavior of
neutrons. Hit and trial experimentation were too costly and the problem was too complicated
for analysis. Hence, the Roulette wheel technique was suggested by the mathematicians. The
basic data regarding the occurrence of various events were known, into which the probabilities
of separate events were merged in a step by step analysis to predict the outcome of the whole
sequence of events. With the remarkable success of the techniques on neutron problem, it
soon became popular and found many applications in the business and industry.
The Selection of simulation Software is based on the followings:

 Model building feature

 Runtime environment
 Animation of la yout features
 Output features
 Vendor support and product documentation

5
Software simulation has variety of programs for chemical engineering:

 MATLAB
A high-level language and interactive environment for numerical computation, visualization, and
programming, MATLAB is an engineering design tool preferred by millions of engineers and
scientists worldwide. With MATLAB, you can explore and visualize ideas and collaborate across
disciplines to put your ideas into action.

 KOMPAS-3D

KOMPAS-3D, a flexible 3D modeling system, is an engineering design tool that allows design
engineers to create models using several methods. Create editable associate models easily
using KOMPAS-3D and its powerful functions that can manage projects with thousands of sub-
assemblies, parts, and standard library product.

Autodesk Digital Prototyping

As an engineering design tool, Autodesk Digital Prototyping helps design engineers make great
products by replacing siloes tools with integrated ones. Autodesk Digital Prototyping makes it
possible for design engineers to streamline the entire product design and development process
because they can explore their ideas before building them.

 Benefits

The following is a brief list of some of the proclaimed benefits of SPSM

• Improved effort and cost estimation

• Improved reliability predictions

• Improved resource allocation

• Risk assessment

• Studying success factors for global software development

• Technology evaluation and adoption

• Training and learning

And also it is easier to experiment with simulation models, rather than experimenting with
the real systems. There is a variety of potential benefits of simulation in manufacturing
6
environments including: greater understanding of systems, reduced operating costs, risk
reduction, lead time reduction, reduction of capital costs, and faster configuration changes.

7
Mythology

Relatively, most simulators have the same goal of processing commands through some
complex mathematical calculations, but in different ways. Transport phenomena can be
mathematically explained using the PDE "pdepe" toolkit, but they represent separate
phenomena. The McCabe Method for initial conceptual estimation of a two-component
distillation column operation is a common shortcut approach to the initial project evaluation of
a two-component extraction distillation operation. Heat exchangers, pumps, valves,
evaporators, columns, reactors, and other types of process equipment are all modeled. Reactor
technology models are based on accurate algebraic and differential equations. Use MATLAB's
ODEXX function to calculate concentration, temperature, and / or pressure profiles throughout
the operation of such devices. ASPEN does not create a process. Use a user-provided design to
simulate the performance of the process specified in that design. A solid understanding of the
underlying principles of chemical engineering is essential to provide appropriate input model
parameters and assess the applicability of the results obtained. Users should be familiar with
column behavior before using ASPEN.

• Result

Aspen HYSYS: A general process simulation and modelling software very commonly used in the upstream
oil and gas industry is HYSYS. HYSYS is extensively used for developing PFD and mass and heat balance.
So the result is aspen HYSYS which is the best for using.

• Discussion

In my discussion I will discuss the reason why Aspen HYSYS is the best so Aspen HYSYS is the
energy industry’s leading process simulation software that’s used by top oil and gas producers,
refineries and engineering companies for process optimization in design and operations.
In general, it can be said that Aspen Plus is better tool for chemical process design such as fine
chemistry, chemicals, pharma, etc., whilst HYSYS is best for hydrocarbon, petrochemical,
petroleum operations such as natural gas, liquefied gases, crude oil etc…

8
 Conclusion

Simulation modeling is widely used in fields such as manufacturing, health, network

communications, and military. The popularity of this simulation has made numerous simulation
software tools available on the market. This paper presents the results of a study on the use of
simulation software, including academic and industrial members of the simulation research
group of the British Operations Research Association. The results of the survey show the main
types of simulation software used, the most common areas of application for simulation, the
opinions of software users, and the potential for improving simulation software.

 References

 T. I. Ören, “Concepts and criteria to assess acceptability of simulation studies: a frame of

reference,” Simulation Modeling and Statistical Computing, vol. 24, n. 4, pp. 180-189, April 1981.
(Accessed at:24/10/2022)
 O. Balci, “Guidelines for successful simulation studies,” Proc. Winter Simulation Conference, pp.
25-32, 1990. (Accessed at:25/10/2022)
 J. P. C. Kleijnen, “Statistical design and analysis of simulation experiments,” Informatie, 17, no.
10, pp. 531-535, Oct. 1975. (Accessed at:25/10/2022)
 A. Burton, D. G. Altman, P. Royston, R. L. Holder, “The design of simulation studies in medical
statistics,” Statistics in Medicine, vol. 25, pp. 4279-4292, 2006. (Accessed at:26/10/2022)
 V. R. Basili. “Software Modeling and Measurement: The Goal/Question/Metric Paradigm”.
Technical Report. University of Maryland at College Park, College Park, MD, USA, 1992. (Accessed
at:27/10/2022)
 T. Foss, E. Stensrud, B. Kitchenham, I. Myrtveit. “A Simulation Study of the Model Evaluation
Criterion MMRE”. IEEE Trans. Softw. Eng. v. 29, i. 11, pp. 985-995, November , 2003.
(Accessed at:28/10/2022)
 Florac, W.A., Carleton, A.D. “Measuring the Software Process”, Addison-Wesley, 1999. (Accessed
at:28/10/2022)
 Dybå, T., Sjøberg, D.I.K., Cruzes, D.S. “What Works for Whom, Where, When, and Why? On
the Role of Context in Empirical Software Engineering,” In: ESEM’12. Sep 19-20, Lund, Sweden,
2012. (Accessed at:29/10/2022)
 CET online submission. Available at:
https://www.aidic.it/cetjournal/onlinesubmission.html (Accessed: October 25, 2022).

9
1
0