Preliminary discussion on scientific connotation and research method of aterial-oriented chemical engineering: Understanding materials based on confined interfacial fluid behavior on mesoscale

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.