Molecular Simulation in Modern Chemical Engineering: A Thermodynamicist's Perspective

Chemical engineers have been at the forefront of the invention of powerful algorithms that enable the molecular-based analysis of complex technical problems, such as developing strategies for the long-term preservation of therapeutic drugs and estimating the solubility of trace pollutants in water. Building upon a solid foundation in thermodynamics and statistical mechanics, these methods allow detailed microscopic scrutiny of a wide range of problems of interest in modern chemical engineering, thereby providing fundamental understanding and facilitating rational design. I will illustrate the insights that can be gained from theory and computation by drawing on examples from my own research in areas including protein formulations and water in the atmosphere.

Speaker: Pablo Debenedetti, Princeton Univ.