時間

2020年12月11日(五) 15:10 PM    主持人：游聲盛 教授

                                               發佈人：謝馨瑩

講者

李奕霈 教授

服務單位

臺灣大學化學工程學系

講題

Tuning of Catalysts for Biofuel Conversions: A Computer-Aided Approach

地點

93406

語言

中文

摘要

Tremendous efforts have been made for developing and improving catalysis technology to meet the growing demands of chemistry. Nevertheless, preparing novel catalysts and examining the performance of different catalysts in various conditions are often major obstacles for advancing the catalysis technology due to the tedious and costly experimental process. Computer-aided modeling, design, and optimization can facilitate the development of catalysis technology by replacing some of the many required experiments. In this presentation, I will demonstrate how one can obtain useful information from computer simulations to guide catalyst design, reactant engineering, and reaction condition optimization. Three biofuel conversion reactions occurring in zeolite catalysts including the isomerization from glucose to fructose and two renewable pathways for terephthalic acid synthesis will be used as examples for each of these topics. The prospect of combining quantum mechanical calculations with advanced machine learning techniques for efficient and robust reaction modeling will be discussed as well.

學經歷

Position：Assistant Professor, Dept. of Chemical Engineering, NTU

Education：PhD, University of California at Berkeley

Experience：Postdoctoral Associate, Massachusetts Institute of Technology

Specialty： Reaction Engineering, Computational Chemistry, Machine Learning