2017 Systematic Material Design Methodology

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Academic unit or major
Graduate major in Chemical Science and Engineering
Instructor(s)
Yamaguchi Takeo  Tamaki Takanori 
Course component(s)
Lecture
Day/Period(Room No.)
Fri3-4(G112)  
Group
-
Course number
CAP.I537
Credits
1
Academic year
2017
Offered quarter
2Q
Syllabus updated
2017/3/17
Lecture notes updated
-
Language used
Japanese
Access Index

Course description and aims

[Summary of the lecture]This course focuses on systematic material design from fundamental to application, and covers the reaction-diffusion equations as the basis of the systematic material design.
[Aim of the lecture]The concept of systematic material design is essential to develop materials and devices useful in practice. Each element materials should be integrated systematically by considering the target performance of the final device/system, and the specific optimization of each element materials 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.

Student learning outcomes

At the end of this course, students will be able to
1) Understand how systematic material design based on chemical engineering approach is applied for the development of materials and devices in the fields of energy and environment.
2) Understand and derivate the reaction-diffusion equation and numerically solve the equation.
3) Understand how to apply the systematic material design to develop materials and devices useful in practice.

Keywords

Chemical engineering, Material design, Environment, Energy, Device, Reaction-diffusion equation

Competencies that will be developed

Intercultural skills Communication skills Specialist skills Critical thinking skills Practical and/or problem-solving skills
- - -

Class flow

The first half of this lecture (from the 1st to 4th classes) introduces reaction-diffusion equations as the basis of systematic material design, and the last half (from the 5th to 8th classes) shows applications of systematic material design.

Course schedule/Required learning

  Course schedule Required learning
Class 1 The concept of systematic material design Explain the concept of systematic material design.
Class 2 Fundamental of reaction-diffusion equation Understand and derivate reaction-diffusion equation.
Class 3 Fundamental of finite-difference methods Understand and explain finite-difference methods.
Class 4 Systematic material design of separation membranes 1: Prediction of solubility Predict solubility in polymeric membrane.
Class 5 Systematic material design of separation membranes 2: Prediction of diffusivity Predict molecular diffusivity in polymeric membrane.
Class 6 Systematic material design of separation membranes 3: Prediction of permeability Predict permeability through polymeric membrane without experiment.
Class 7 Exercise of reaction-diffusion equation 1: Unsteady diffusion Numerically solve unsteady diffusion equation.
Class 8 Exercise of reaction-diffusion equation 2: Unsteady diffusion and reaction Numerically solve unsteady diffusion and reaction equation.

Textbook(s)

Course materials are provided during class.

Reference books, course materials, etc.

Saito, Kyoichi. "Introductory Chemical Engineering for Engineers". Kodan-sha. ISBN-13: 978-4061543744. (Japanese)
Yamazaki, Kakuji. "Introductory Numerical Solution for Partial Difference Equation". Morikita Publishing. ISBN-13: 978-4627074200 (Japanese)

Assessment criteria and methods

Students will be assessed on their understanding of systematic material design and reaction-diffusion equation based on exercise problems in each class (50%) and the report (50%).

Related courses

  • CAP.I407 : Introduction to Chemical Engineering (Basics)
  • CAP.I417 : Introduction to Chemical Engineering (Unit Operation)
  • CAP.C421 : Advanced Energy Transfer Operation
  • CAP.C442 : Advanced Separation Operation
  • CAP.C441 : Transport Phenomena and Operation

Prerequisites (i.e., required knowledge, skills, courses, etc.)

No prerequisites.

Contact information (e-mail and phone)    Notice : Please replace from "[at]" to "@"(half-width character).

Takeo Yamaguchi: yamag[at]res.titech.ac.jp
Takanori Tamaki: tamaki.t.aa[at]m.titech.ac.jp

Office hours

Contact by e-mail in advance to schedule an appointment.

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