Statistical Nonequilibrium Thermodynamics of Stationary and Nonstationary Molecular Systems

教授乔尔·凯泽是由资助的支持， 理论和计算化学计划，继续他的 在统计热力学处理领域的工作 非平衡系统 这项工作有潜力， 提供了一个统一的热力学物理解释 远离平衡的系统的性质，包括系统 进行稳态化学反应。 凯泽将利用计算机分子动力学和 非平衡态热力学统计理论 研究剪切流中分子涨落的性质 以及稳态条件下的化学反应。 在 相关的工作，他还将扩展他的分析计算 分子力对稳态的影响 化学反应，包括分子 涨落和热力学性质。

Professor Joel Keizer is supported by a grant from The Theoretical and Computational Chemistry Program to continue his work in the area of statistical thermodynamic treatment of nonequilibrium systems. This work has a potential for providing a unifying physical explanation of thermodynamic properties for systems far from equilibrium, including systems undergoing steady state chemical reactions. Keizer will utilize both computer molecular dynamics and the statistical theory of nonequilibrium thermodynamics to investigate the nature of molecular fluctuations in shear flows and chemical reactions under steady state conditions. In related work, he will also extend his analytical calculations of the effect of molecular forces on the steady state properties of chemical reactions, including both molecular fluctuations and thermodynamic properties.