ABSTRACT
For a long time, chemical engineers have analyzed macroscale properties using a variety of continuum mechanics models. In the last decade molecular modeling has grown to an essential part of research and development in the chemical and pharmaceutical industries. Despite the considerable success of both molecular and macroscale modeling, in the past few years it has become more and more apparent that in many materials mesoscale structures determine material properties to a very large extent. Mesoscale structures are typically of the size of 10 to 1000nm. The industrial relevance of mesoscale modeling is obvious, nevertheless the necessary general purpose computational engineering tools are absent.
