Computer Programming for Chemical Engineers
Module Notes
Module Details
Ability to use compilers through an Integrated Development Environment for formulating basic science and engineering problems in a high level computer language.
Ability to understand and use basic numerical algorithms .
Ability to solve engineering problems using computer programming.
Ability to present written and/or oral original homework and (optionally) mini project reports
It is preferable that students have followed the lyceum course ‘Application Development in a Programming Environment’ or the first year elective ChE162 ‘Introduction to Computers’.
Computer Programming and Chemical Engineering. Algorithms: categories, data structures, design techniques, performance analysis. Elements of Fortran 95/2003/2008 with selective presentation of elemental C++. Basic data types, expressions and statements, operator and data type precedence. Flow control structures: conditional branching, case selection, iterative and conditional loops. Input-output statements, file handling. Arrays: elements and sectors, array constructors, subscript triplets, vector subscripts, implied loops. Masked array assignment (where, forall). Procedures: functions, subroutines, elemental and recursive procedures. Dynamic Data Structures: dynamic arrays, allocatable, assumed shape and automatic arrays, pointers, lists. Derived data types. Modules: module procedures, data range and association, procedure interfaces, user defined and overloaded operators, generic procedures. Object Oriented Programming: encapsulation, polymorphism, inheritance. Basic algorithm examples: search and sort, random numbers, equation solving, integration, data visualization using Excel and GNUPLOT.
Keywords: Computer Programming, Algorithms, Fortran 2008
Teaching Organization
LECTURES: 4 h/w
LAB/PRACTICE: 3 h/w
PROJECT/HOMEWORK: 8/semester
Total Module Workload (ECTS Standards):
1) Lab homeworks and tests account for 30% of the final mark provided the exam and lab marks are ≥5 .
2) Mini project concerning original data analysis and presentation on volunteer basis can lead to a bonus of 30% provided the exam mark is are ≥4
3) Internediate written exam and Final written and/or oral exam
- Fortran 95/2003 for Scientists and Engineers (3rd edition) (In English). S. J. Chapman. McGraw Hill 2008. 978-0-07-319157-7
- Programming Fortran 90/95 for Scientists and Engineers (In Greek). D. S. Mataras, F. A. Coutelieris. Tziolas Publishing 2001, ISBN 960-6219-43-X
- Introduction to Fortran 90 (In Greek). L. Nyhoff, S. Leestma. ION publishing 2004. ISBN 960-411-492-1
- eclass materials: Lecture presentations, Solved lab, homework and past exam subjects.