Numerical problems and agent-based models for a mass transfer course

Authors

  • Manohar Murthi Northwestern University
  • Lonnie D. Shea Northwestern University
  • Randall Q. Snurr Northwestern University

Abstract

Problems requiring numerical solutions of differential equations or the use of agent-based modeling are presented for use in a course on mass transfer. These problems were solved using the popular technical computing language MATLABTM. Students were introduced to MATLAB via a problem with an analytical solution. A more complex problem to which no analytical solution exists was then assigned. An example follows using agent-based simulation techniques to solve problems that are difficult to formulate in terms of differential equations. This example was used as a course project in which a kinetic Monte Carlo simulation was used by students to investigate progenitor cell invasion into a polymeric tissue engineering scaffold.

Author Biographies

Manohar Murthi, Northwestern University

Manohar Murthi earned his B.S. degree in chemical engineering from the University of California, Berkeley, and his M. S. and Ph.D. degrees from Northwestern University. He is currently employed as a quantitative researcher by a proprietary trading firm.

Lonnie D. Shea, Northwestern University

Lonnie D. Shea is a professor in the Department of Chemical and Biological Engineering at Northwestern University. He holds B.S. and M.S. degrees in chemical engineering from Case Western Reserve University and a Ph.D. in chemical engineering and scientific computing from the University of Michigan. His research laboratory focuses on the combination of biomaterials and gene/drug delivery for regenerative medicine.

Randall Q. Snurr, Northwestern University

Randall Q. Snurr is a professor in the Department of Chemical and Biological Engineering at Northwestern University. He holds B.S.E. and Ph.D. degrees in chemical engineering from the University of Pennsylvania and the University of California, Berkeley, respectively. His research interests include molecular simulation, development of new materials, diffusion in nanoporous materials, adsorption, catalysis, and energy storage.

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Published

2009-04-01

Issue

Vol. 43 No. 2 (2009): Spring 2009

Section

Manuscripts