Dynamics and Structure in Chemical and Biophysical Systems

在这个理论与计算化学的项目中， 罗尼斯正在开发新的统计力学理论 凝聚系统的静态和动态性质。 这 项目涉及一系列不同的主题， 发展相变和临界现象的理论 在浓缩介质中模拟胶束、膜和 生物系统如短杆菌肽A。 罗尼斯正在发展新的和扩展现有的理论， 统计力学的静态和动态问题， 浓缩系统 近期目标是：1）研究 溶剂和主链柔性对时间相关性的影响 确定碱离子渗透性的函数， 计算短杆菌肽-A的平均力离子势 在模型短杆菌肽-A/膜孔系统的口附近; 3） 发展一种改进的离子双电层理论 高度带电的可极化表面; 4）延长他的 从膜运输到扩散运输的微观理论 5）研究颗粒间的影响 相变和尺寸分布的相关性 离子胶束悬浮液; 6）发展动力学理论， 多孔介质中的二元混合物相变; 7）改善 他关于湍流临界现象的理论， 临界动力学耦合的自洽理论 8）发展不稳定性理论 机制和波动的胶体晶体; 9）， 发展一个理论，增强辐射能量转移在小 粒子;和10）发展的Spinodal理论 在临界点附近分解。

In this project in the Theoretical and Computational Chemistry Program, Ronis is developing new statistical mechanic theories for static and dynamic properties of condensed systems. This project involves a diverse set of topics ranging from developing theories of phase transitions and critical phenomena in condensed media to modelling micelles, membranes and biological systems such as gramicidin-A. Ronis is developing new and extending existing theories in statistical mechanics to static and dynamic problems in condensed systems. The immediate goals are 1) to study the effects of solvent and backbone flexibility on time correlation functions which determine the alkali-ion permeability in gramicidin-A; 2) to calculate the ionic potential of mean force near the mouth of a model gramicidin-A/membrane pore system; 3) to develop an improved theory of the ionic double layer near highly charged polarizable surfaces; 4) to extend his microscopic theory of membrane transport to diffusive transport in zeolites; 5) to study the effect of inter-particle correlations on phase transitions and size distributions in ionic micellar suspensions; 6) to develop a kinetic theory of binary mixture phase transitions in porous media; 7) to improve his theory of critical phenomena in turbulent flows by solving a self-consistent theory of the coupling of critical dynamics to the fluid motion flow; 8) to develop a theory of instability mechanisms and fluctuations in colloidal crystals; 9) to develop a theory of enhanced radiative energy transfer in small particles; and 10) to develop a theory of spinodal decomposition near the critical point.