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thermodynamics and molecular computation
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Thermodynamics is a cornerstone of chemical engineering. Processes as diverse as chemical production, bioreaction, creation of advanced materials, protein separation, and environmental treatment are governed by thermodynamics. The classical concepts of equilibrium, reversibility, energy, and entropy are basic to the analysis and design of these processes. The extension of classical thermodynamics to molecular scales by use of statistical mechanics has made molecular simulation an increasingly valuable tool for the chemical engineer. Prediction of macroscopic behavior from molecular computations is becoming ever more feasible. This venerable field continues to yield fruitful areas of inquiry.

In the Department, you will find expertise in predicting material properties from molecular structure, applying quantum mechanics to catalyst design, supercritical fluid processing, the behavior of complex fluid structures, phase equilibrium with simple and complex molecular species, crystalline lattice behavior, and many other areas of classical and statistical thermodynamics. View the pages of individual faculty members to learn about recent and ongoing research.

Kenneth Beers Visiting Assistant Professor 617.258.8986
kbeers@mit.edu
polymerization kinetics, molecular simulation, structure-property relations
Daniel Blankschtein Professor 617.253.4594
dblank@mit.edu
colloid and interface science, thermodynamics, statistical mechanics, environmental and biomedical aspects of structured fluids, bioseparations, transdermal drug delivery
Arup K. Chakraborty Professor 617.253.3890
arupc@mit.edu
cell-cell recognition in immunology, T cell biology, polymers and membranes, statistical mechanics
Gregory Rutledge Professor 617.253.0171
rutledge@mit.edu
polymer science and engineering, statistical thermodynamics, molecular simulation
Jefferson W. Tester Professor 617.253.7090
testerel@mit.edu
environmental remediation and control technology, chemical processes in supercritical fluids, renewable and geothermal energy systems, gas hydrates in natural environments
Bernhardt L. Trout Associate Professor 617.258.5021
trout@mit.edu
kinetics of aqueous and biological systems, protein stabilization, nucleation of pharmaceutical and clathrate hydrates, theoretical heterogeneous catalysis, molecular-level design of products and processes, emissions control and sustainable development