2024 Faculty Courses School of Materials and Chemical Technology Department of Chemical Science and Engineering Graduate major in Chemical Science and Engineering
Systematic Material Design Methodology
- Academic unit or major
- Graduate major in Chemical Science and Engineering
- Instructor(s)
- Hidenori Kuroki
- Class Format
- Lecture (Face-to-face)
- Media-enhanced courses
- -
- Day of week/Period
(Classrooms) - 3-4 Fri
- Class
- -
- Course Code
- CAP.I537
- Number of credits
- 100
- Course offered
- 2024
- Offered quarter
- 2Q
- Syllabus updated
- Mar 14, 2025
- Language
- English
Syllabus
Course overview and goals
[Course description] This course focuses on systematic material design from fundamental to application and covers the reaction-diffusion equations as the basis of systematic material design.
[Course aims] The concept of systematic material design is essential to developing materials and devices useful in practice. Each element material should be integrated systematically by considering the target performance of the final device/system, and the specific optimization of each element material does not necessarily lead to the improvement of the performance of the final device/system. This course introduces reaction-diffusion equations as the basis of systematic material design and then shows applications of systematic material design.
Course description and aims
Upon completion of this course, students will be able to
1) Understand how systematic material design based on chemical engineering is utilized in the development of advanced materials and devices in the fields of energy and environment.
2) Understand basic concepts and solutions of reaction-diffusion equations, which are the basis of materials design.
3) Understand how to apply the systematic material design to develop actual materials and devices.
Keywords
Chemical engineering, Material design, Environment, Energy, Device, Reaction-diffusion equation, Numerical solution
Competencies
- Specialist skills
- Intercultural skills
- Communication skills
- Critical thinking skills
- Practical and/or problem-solving skills
Class flow
In this course, exercises will be given in the class.
Course schedule/Objectives
| Course schedule | Objectives | |
|---|---|---|
| Class 1 | Concept of systematic material design and mass balance equations | Explain the concept of systematic material design and mass balance equations. |
| Class 2 | Molecular permeation mechanism in polymeric membranes | Explain the solution-diffusion mechanism in polymeric membranes. |
| Class 3 | Theoretical prediction of molecular solubility and diffusivity in polymeric membranes | Predict molecular permeability through polymeric membranes without experiments. |
| Class 4 | Analytical solution of steady-state reaction-diffusion equations | Analytically solve steady-state reaction-diffusion equations. |
| Class 5 | Finite-difference method for numerical solution | Understand and explain finite-difference methods. |
| Class 6 | Numerical solution of unsteady diffusion equations | Numerically solve unsteady diffusion equations. |
| Class 7 | Numerical solution of unsteady reaction-diffusion equations | Numerically solve unsteady reaction-diffusion equations. |
Study advice (preparation and review)
To enhance effective learning, students are encouraged to spend approximately 100 minutes preparing for class and another 100 minutes reviewing class content afterwards (including assignments) for each class.
They should do so by referring to textbooks and other course material.
Textbook(s)
Learning Chemical Engineering Through Actual Case Studies – Approaches to Solving Issues (in Japanese), ed. The Society of Chemical Engineers, Japan Textbook Committee, Maruzen Publishing, ISBN-13: 978-4621307045
Recent Chemical Engineering 63: Membrane Separation Processes from Basics to Applications (in Japanese), ed. The Society of Chemical Engineers, Japan, SANKEISHA Publishing, ISBN-13: 978-4864871785
Introduction to Numerical Solutions of Partial Differential Equations (in Japanese) by Kakuji Yamazaki, Morikita Publishing, ISBN-13: 978-4627074200
Reference books, course materials, etc.
Course materials will be distributed in class.
Evaluation methods and criteria
Students will be evaluated on their understanding of the concept of systematic material design and the solution of reaction-diffusion equations through exercises in each class and the report.
Related courses
- CAP.I407 ： Introduction to Chemical Engineering (Basics)
- CAP.I417 ： Introduction to Chemical Engineering (Unit Operation)
- CAP.C421 ： Advanced Energy Transfer Operation
- CAP.C441 ： Transport Phenomena and Operation
Prerequisites
No prerequisites.