化工学报2013，Vol.64Issue(1)：148-154,7.DOI:10.3969/j.issn.0438-1157.2013.01.017
材料化学工程科学内涵及方法初探:从介观尺度界面流体行为出发认知材料
Preliminary discussion on scientific connotation and research method of aterial-oriented chemical engineering: understanding materials based on confined interfacial fluid behavior on mesoscale
摘要
Abstract
As an emerging inter-discipline, it is urgent to study the scientific connotation and research method of material-oriented chemical engineering (MCE). Advanced materials with novel nanostructure and larger surface area are developed to solve the critical problems in resource, energy and environment. The unique behavior of confined interfacial fluids is recognized to be important to the performance of these advanced materials. We first illustrated the significance of the confined interfacial fluid behavior on mesoscale and preliminary discussed the scientific connotation of MCE. The scientific connotation was to "understand" materials through the interfacial fluid behavior, and then to establish the relationship among material structure, performance (applications) and preparation (production). The complex structures and interactions on mesoscale made the interfacial fluid behavior very complicated, and the key to understanding materials was evaluation of the influence of complex inter-actions and complex structures on interfacial fluid behavior. Furthermore, molecular simulation could be an effective tool for the analysis of factors that influence interfacial fluid behavior. There were two difficulties in the present study. One was how to simultaneously simulate transport behavior and chemical reactions. The other was how to translate molecular information on mesoscale into advanced material application on macroscale. Based on the two key points, the trend of research method was discussed.关键词
介观尺度/界面/受限流体/材料化学工程/分子模拟Key words
mesoscale/interface/confined fluids/material-oriented chemical engineering/molecular simulation分类
化学化工引用本文复制引用
朱育丹,陆小华,郭晓静,吕玲红..材料化学工程科学内涵及方法初探:从介观尺度界面流体行为出发认知材料[J].化工学报,2013,64(1):148-154,7.基金项目
国家重点基础研究发展计划项目(2013CB733500) （2013CB733500）
国家自然科学基金重点项目(20736002) （20736002）
国家自然科学基金项目(20706029,20736002,20706019,20876073,21206070) （20706029,20736002,20706019,20876073,21206070）
中国博士后科学基金项目(20110491407). （20110491407）
