Zdravko Kravanja, Miloš Bogataj (Editors), Proceedings of the 26th European Symposium on

Computer Aided Process Engineering – ESCAPE 26

June 12th -15th, 2016, Portorož, Slovenia © 2016 Elsevier B.V. All rights reserved.
http://dx.doi.org/10.1016/B978-0-444-63428-3.50399-4

Towards Outcomes-Based Education of Computer-

Aided Chemical Engineering
Zorka Novak Pintarič*, Zdravko Kravanja
University of Maribor, Faculty of Chemistry and Chemical Engineering, Smetanova 17
2000 Maribor, Slovenia
Abstract
Chemical engineering education is nowadays increasingly supported by the use of various
computational tools as the employers’ requirements for computing skills of graduates are
growing too. However, students often acquire computational skills in an unsystematic
manner due to a lack of defining and applying computer-based outcomes within the
syllabuses suitable for the particular level of the Bologna three-cycle system. This paper
bridges this gap by providing the review of the essential learning outcomes in the
computer-aided chemical engineering education during all three cycles. The identified
outcomes gradually progress from application-based competencies up to more advanced
process modeling ones based on knowledge synthesis and creation. Accordingly, the
educational strategies and curricula can be redesigned in order to integrate courses more
efficiently both horizontally and vertically, and upgrade the use of computational tools.
Keywords: Computer-Aided; Chemical Engineering; Education; Bologna process;
Learning Outcomes
1. Introduction
The Bologna reform process has reached some of its basic goals so far, such as the
organization of the studies into three main cycles, and the establishment of the European
Credit Transfer System (ECTS) in a great majority of European higher education
institutions (Yerevan Communique, 2015). However, an open question remains as to what
extent a shift from formal reorganization of study programs towards their restructuring
into high quality student- and outcomes-oriented education has been achieved. When
considering that the chemical industry is one of the more important sectors within a
modern economy, quality education for chemical engineers should provide students with
specific parts of fundamental natural sciences, chemical engineering and non-technical
subjects (EFCE, 2010). Modern chemical engineers may also need many non-traditional
topics because the scopes of their activities has broadened significantly during recent
decades (Kravanja, 2014). Besides, the complexities of those problems faced by chemical
engineers have increased from isolated analytical to integrated multi-scale synthesis
problems. Teaching chemical engineering students in using computer methods and tools
has become of paramount importance for raising their abilities to generate complex and
integrated process solutions (Kravanja and Klemeš, 2011).
There exist several specific competencies in computer-aided chemical engineering
education, for example, using spreadsheets (Ferreira et al., 2004) and process simulation
(Ng and Chong, 2013). This presented contribution, however, aims at defining those
general major learning outcomes associated with using computer methods, tools and
concepts at all three Bologna levels of computer-aided chemical engineering education.
According to Bloom’s taxonomy of learning objectives (Anderson et al., 2013), several
essential computer skills are identified that support the efficient implementation of a
2368 Z.N. Pintarič and Z. Kravanja

chemical engineering curriculum, and stimulate students’ abilities to progress from

obtaining and applying the basic knowledge during the first cycle, deepening knowledge
during the second cycle, up to creating new knowledge during doctoral and postdoctoral
studies. The identified outcomes could help to improve the syllabuses by leading to
student- and outcomes-oriented courses.
2. Using computers within the chemical engineering curriculum
Within a typical chemical engineering curriculum, the main goal of the first cycle is to
provide students with the necessary knowledge and understanding of basic natural
phenomena and chemical engineering mechanisms. In this way, students acquire
competencies for the analytical approach, i.e. the ability to solve individual and isolated
problems. During the second cycle, the topics of Chemical Engineering science become
deeper and wider, also adding Process Systems Engineering (PSE) courses, as well as
the specific courses for further specialization. The main goal of the second cycle is to
provide students with a systems approach in order to gain abilities for designing
chemical and other processes while taking into account the economics, environmental
influences and social responsibilities. During the third cycle, students completely
specialize in their selected research topics, while on the other hand seeking the wider
relevance of their research. The main goal of the third cycle is to provide students with
competencies for independent work in research and development, developing new
methods and approaches, and thus creating new knowledge and innovations.
According to the increased requirements of the chemical engineering curriculum, the
abilities of students for using computing and computers in solving engineering problems
need to increase as well. Based on the experiences gained during the development of
Chemical Engineering curriculum at the University of Maribor, this section describes
the distribution of computer-based outcomes across the three-cycle study system.
2.1. First cycle
During the first cycle students acquire various laboratory skills in practical courses of
inorganic, organic, analytical, physical and other chemistries. Other equally important
skills for chemical engineering students are the computer skills. It is important to train
the students as early as possible in the basics of computing, programing environments,
and spreadsheets. Besides, students need to acquire or strengthen their writing and
presentation skills. At the very beginning of the first cycle, they should be encouraged
to use the reliable open computer software or free demo versions at their personal
desktop computers or laptops.
Web-based learning environments. Students of Chemical Engineering at the University
of Maribor are introduced to the open-source learning platform Moodle very early.
Within this platform they obtain access to teaching and learning materials, time
schedules of all activities including practical courses, tests and exams, as well as their
weekly home assignments. They can choose and register for practical courses and tests,
and submit the assignment reports. Short e-tests are also performed. Lecturers record
students’ grades within the Moodle’s grade-book, which is accessible to students
confidentially via their home computers and mobile devices.
Basic spreadsheets. During the first cycle laboratory work, students prepare extensive
reports that include various calculations, data processing and visualization. Therefore,
they need to be trained in working with spreadsheets including data input, calculations
by applying relative and absolute cell references, sorting, classifying and aggregating
data, using frequently used functions, visualizing through various graphic presentations,
fitting models by using linear and nonlinear regressions, creating rules and constraints
Towards Outcomes-Based Education of Computer-Aided Chemical Engineering 2369

by conditional formatting and conditional statements. Another important feature is the

ability to write Excel Macros (VBA), which are widely used in industry.
Basic programing. Most black-box software allows for writing the user’s own routines
in various programming languages, e.g. Fortran or C++. Students should therefore be
acquainted with the basic principles of programing starting from problem definition, its
analysis with deep understanding of mathematical expressions together with analyzing
measurement units, drawing a flowchart, and writing a computer code. A curriculum
should include a particular programing language with data input, using the intrinsic
functions, loops, conditional statements, arrays, subprograms, and displaying the results.
Working with arithmetic expressions. Regardless of which computing environment is
used within the curriculum, an ability to convert the mathematical expressions into
programming code is of paramount importance. Students need to acquire an overview of
the arithmetic operators and operands, precedencies of operators, as well as the
relational and logical operators.
Numerical methods. During the first cycle, students need several skills for solving
different problems through computing. In thermodynamics, chemical reaction
engineering, heat and mass transfer etc. the numerical methods are needed for
determining the polynomial roots and the roots of nonlinear functions, solving a system
of linear equations, system of nonlinear equations, determining the
minimums/maximums of functions, numerical integration etc. It is therefore necessary
that students become familiar with specific mathematical software, e.g. Matlab,
Mathcad, Scilab, especially the open source software or free student license programs.
Mathematical programming. During the initial course of process optimization students
become acquainted with linear and nonlinear programing (LP and NLP) for specific
applications in chemical engineering, for example, production planning, designing small
processes, data analysis, mixtures blending, transportation problems etc. Students needs
to be trained in observing and understanding the technical problems, and translating
them from a descriptive language into abstract mathematical expressions. Some
modeling systems, like GAMS, offer free demo systems with limited numbers of
constraints and variables, which are usually sufficient for first cycle students.
Writing and presentation skills. Students bring basic skills for using word processors
and presentation programs from previous education, however, the majority of them
would need additional training in using more specific features, such as the styles,
sections, numbered lists, cross-referencing, literature citing and similar. The knowledge
of software, such as Word or Power Point, needs to be promoted through workshops,
project- and seminar works. The use of free tools for citing the literature is also
promoted among students.
2.2. Second cycle
A two-year second cycle represents an upgrade from analytical to synthesis approach. A
main goal is to qualify students for linking and integrating the acquired knowledge of
natural sciences, unit operations and chemical engineering into a holistic approach for
chemical process design and synthesis while considering operational, economic and
environmental efficiencies of process solutions. Students perform simulations with
available software, however, they also need to be able to write their own mathematical
models and computer programs.
Process Simulation. Students use process simulators, like Aspen and Hysys, during
several courses for stationary and dynamic simulations of processes flow sheets,
separation processes, heat integration and Heat Exchangers Network (HEN) design,
2370 Z.N. Pintarič and Z. Kravanja

economic evaluation, parametric optimization etc. They need to apply their knowledge
and understanding for selecting an appropriate thermodynamic model, selecting and
defining the models for reaction and separation, placing the recycle and purge streams
appropriately, and writing their own routines if required.
Mathematical programming. At this level, the knowledge of LP and NLP from the first
cycle is upgraded by mixed integer linear and nonlinear programming (MILP and
MINLP), and used for specific applications in chemical process engineering, like the
superstructural approach to process synthesis and design, heat integration and HEN
synthesis, computer-aided molecular design, capital budgeting etc. It is important to
stimulate the students to independent modeling in order to acquire the abilities for
generating their own mathematical optimization models.
Spreadsheets’ specifics. At this stage, the students are well skilled in using spreadsheets,
and it is easy to familiarize them with the specific functions and applications, for
example statistical functions for hypothesis testing, economic functions for detailed
economic evaluations, sensitivity analyses etc.
Specific software. Students need the knowledge and skills to install and run various
software packages for specific applications. They should be able to apply the software
to their own problems arising either from the laboratory experiments, engineering
feasibility studies or industrial problems. The use of free and academic licensed
software is encouraged, for example, statistical programs (SPSS, Teach/Me Data
Analysis), hazards and accident modeling programs (ALOHA), life cycle assessment
programs (SimaPRO, openLCA), software for creative problem solving (TriSolver),
heat integration (SuperTarget) etc. In addition, several computer codes have been
developed at the Faculty of Chemistry and Chemical Engineering Maribor for waste
management, water networks, piping systems design etc., that are used for education.
2.3. Third cycle
The third cycle is specific for each student, and is completely research-oriented. PSE-
oriented students, in particular, combine all computer-aided knowledge and skills
acquired during the preceding cycles in order to develop their own program codes and
models for generating the solutions of specific problems. They also develop the
methods and algorithms for solving the models. Highly advanced software is often used
as well as multi-core architectures that require highly qualified students. The third cycle
represents a leap towards creating new knowledge, and using it for advanced
applications within the chemical engineering area.
3. Learning outcomes for Computer-Aided Chemical Engineering
education
When summarizing those specific computer-based activities identified in the previous
section, the students’ outcomes can be defined, which at the first cycle are concentrated
on knowledge, application, and analysis (Table 1), at the second cycle the focus is on
the synthesis (Table 2), while at the third cycle creation and evaluation should be the
main activities (Table 3).
Through the three Bologna cycles, the types and structures of the computing models
vary from well-defined models, usually with zero degrees of freedom, to more and more
abstract and sophisticated models with many degrees of freedom. The type of modeling
changes from a sequential-modular approach where each unit is calculated in a
sequence, to the equation-oriented approach where all equations are solved
simultaneously. The applied computational methods and algorithms become more and
more demanding. This process requires shifts in students’ thinking from the analytical
Towards Outcomes-Based Education of Computer-Aided Chemical Engineering 2371

approach for solving limited isolated problems to the synthesis approach where process
units are combined into flow-sheets and optimized subject to the overall process
performances. This systems approach is characterized by multi-scale modeling
including various time and spatial dimensions of the chemical supply-chains,
simultaneous continuous and discrete decisions, handling uncertain parameters for
generating flexible processes etc.
Table 1: First cycle learning outcomes for computer-aided chemical engineering education
First cycle Students would be able to:
Knowledge Recall major arithmetic operators and operands, precedence of
operators, as well as the relational and logical operators.
Comprehension Recognize major structures in the computer programs: loops, if
statements, sets etc., and predict the output.
Application Sketch a flow chart for designing a program, and develop a source
code.
Use spreadsheets for data storage, manipulation, sorting, filtering,
visualization.
Compute minimums and maximums of functions, zeros of
polynoms, zeros of nonlinear equations, system of linear
equations, system of nonlinear equations, in order to solve the
problems within unit operations and chemical engineering
problems.
Develop computer programs for specific applications: numerical
integration and differentiation, ordinary differential equations.
Analysis Develop linear and nonlinear mathematical optimization process
models. Identify degrees of freedom and optimal values of
variables. Compare various solutions obtained.

Table 2: Second cycle learning outcomes for computer-aided chemical engineering education
Second cycle Students would be able to:
Application Apply simulation software for stationary and dynamic simulations.
Analysis Analyze data and test hypotheses by using spreadsheets or other
programs for statistics, economic analyses, LCA.
Distinguish between sequential-modular and equation-oriented
approaches to process flow sheeting.
Distinguish between hierarchical and superstructural approaches
to process design and synthesis.
Test various programs, compare their characteristics, evaluate
Synthesis their performances, propose the more appropriate ones for
problem solving. Prepare the guidelines for using software.
Generate algorithms for solving problems by combining various
software for achieving specific goals.
Create mixed integer linear and nonlinear programming models
for discrete-continuous decision making during process design and
synthesis.
Compare the solutions obtained by evaluating their efficiencies
Evaluation and sustainability by using software.
Recommend optimal solutions under specific circumstances.
2372 Z.N. Pintarič and Z. Kravanja

Table 3: Third cycle learning outcomes for computer-aided chemical engineering education
Third cycle Students would be able to:
Synthesis/ Develop specific types of optimization problems, e.g. multi-
Creating criteria, multi-period, multi-scale models, including risk and
uncertainty.
Develop innovative computing solution methods, algorithms and
strategies.
Perform global optimizations.
Evaluation Evaluate developed programs, models and algorithms, and
compare the results with other approaches.
Verify and validate computer programs and optimization models.

4. Conclusions
This contribution defined the major learning outcomes relating to the use of computers
during chemical engineering education in a Bologna three cycle degree system. The
outcomes develop gradually from the capabilities for solving individual zero-degrees-
of-freedom numerical problems, through positive-degrees-of-freedom optimization
problems including discrete-continuous decisions, and to creating the advanced models
with specific characteristics, e.g. multi-period, multi-objective and multi-scale
optimization models. Computer-based learning outcomes at the first cycle are mainly
focused on knowledge of programing and the applications of various software for
problem analyses. The second cycle focuses on modeling for process design, analysis
and synthesis, while the third cycle is oriented towards syntheses of process systems,
supply chains and networks, models and programs’ creation and evaluation. In this way,
graduates would be qualified to confidently apply those computational methods and
computer tools appropriate to their degree-level for supporting their work during the
professional career, or even develop their own computer tools for specific applications.

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