Computers in Chemical Engineering

Numbering Code U-ENG27 37082 LJ76
U-ENG27 37082 LJ61
Year/Term 2022 ・ First semester
Number of Credits 2 Course Type Lecture
Target Year Target Student
Language Japanese Day/Period Tue.3
Instructor name OOSHIMA MASAHIRO (Graduate School of Engineering Professor)
NAGAMINE SHINSUKE (Graduate School of Engineering Associate Professor)
HIKIMA YUUTA (Graduate School of Engineering Assistant Professor)
Outline and Purpose of the Course Solving several Chemical Engineering problems with computer language, Visual Basic (VBA) in Excel, the students earn the basic computational skills for engineering calculations. They will be learing how to solve the linear and nonlinear algebraic equations, differential equations, integral and linear and nonlinear least square method for parameter fittings
Course Goals The goals of this course is to write computer programming codes by students themselves for solving the simple Chemical Engineering Problems.
Schedule and Contents 1. Orientation
After the instruction on how to start the VBA Editor, the students write the programs for basic arithmetic calculation and unit conversion.
2. Algebraic equation
The simple chemical engineering problems that can be formulated by algebraic equations are assigned to solve with VBA.
3-4. Iterative calculation methods
After leaning the successive iteration and Newton iteration, the students write the programs to obtain the solutions of algebraic equations that are not analytically solvable.
5-6. Differential equation
After learning the Euler and RKG methods for solving the differential equations, the students work on the calculation of chemical reactor.
7-8. Numerical integration
After learning computer algorithm like trapezoidal method and Simpson method, the students write programs to integrate numerical data.
9. Partial differential equation
After learning the scheme of approximating the partial differential equation with difference equations, the students numerically solve the heat conduction equation and obtain the time evolution of temperature distribution.
10-11. Matrix calculation
First the programming codes for performing basic matrix calculations is taught. Then, the students learn Gaussian elimination to solve the simultaneous linear equation and develop a computer program to derive a linear regression model from the data.
12-14. Parameter fitting
The students learn the steepest descent method, Newton method and Marquardt method to seek local extremum of multivariable function, and write the program to determine the parameters to fit the model with data by non-linear least square method.
15. Term-end examination
16. Feedback
Evaluation Methods and Policy The submission of all homework assignments will be worth 40% of the final grade. The term end exam will be evaluated for the rest of the 60 % of the final grade.
Course Requirements Excel is to be used. The basic operation of computer and excel is prerequisite.
Study outside of Class (preparation and review) Writing program for the chemical engineering problem is assigned as homework every week.
Textbooks Textbooks/References Text will be prepared by the tutors
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