[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.
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.
Chemical engineering, Material design, Environment, Energy, Device, Reaction-diffusion equation
Specialist skills | Intercultural skills | Communication skills | ✔ Critical thinking skills | ✔ Practical and/or problem-solving skills |
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 | |
---|---|---|
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. |
Course materials are provided during class.
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)
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%).
No prerequisites.
Takeo Yamaguchi: yamag[at]res.titech.ac.jp
Takanori Tamaki: tamaki.t.aa[at]m.titech.ac.jp
Contact by e-mail in advance to schedule an appointment.