Computer simulation is a critical tool to aid in the understanding of complex phenomena in chemical engineering, yet its inclusion in the curriculum has often been limited. As the field becomes increasingly more diverse, simulation becomes even more important because it can effectively communicate new and difficult material to students. Technology, and in particular cyberinfrastructure, has now advanced sufficiently to allow students to investigate complex phenomena simulationally in short periods of time. As such, virtual laboratory experiments utilizing simulation can now play a powerful role in the learning process. Here we discuss the use of molecular simulation modules developed using the Glotzilla simulation API in both undergraduate and graduate chemical engineering courses. The simulation API provides for the easy creation of Monte Carlo and molecular dynamics simulations, realtime 2-d and 3-d rendering tools, as well as a host of analysis methods. Virtual laboratory modules developed to date focus on such concepts as phase separation, crystallization, liquid-crystalline ordering, and polymer dynamics. The modules are coordinated with a Wiki environment and link to the Materials Digitial Library (MATDL) Soft Matter Wiki [1] and digital library repository [2]. This provides students with a wide array of relevant-linked material ranging from definitions of key terms, explanations of algorithms, research examples, and links to relevant literature. As examples, we show virtual lab modules designed for an undergraduate course in molecular engineering developed at the University of Michigan.

The MatDL project is a collaboration between the University of Michigan and Kent State University, and is sponsored by the National Science Foundation under grant number DUE-0532831.

[1] http://matdl.org/matdlwiki/

[2] http://matdl.org/repository/