Quasi-free electron energy in near critical point atomic and molecular fluids

该项目由化学部化学结构、动力学和机制计划资助的教授Cherice M.Evans(纽约州立大学皇后学院)和Gary L.Findley教授(路易斯安那大学门罗分校)资助，探索近临界点超临界流体(SCF)中溶质之间的相互作用。实验将使用同步辐射光源(例如，威斯康星大学同步辐射中心)来测量不同电场强度和流体数密度下流体中掺杂分子的电离能。这些研究的结果将得出导带的最小能量，并将其与从局部Wigner-Seitz模型获得的预测值进行比较。蒙特卡罗和分子动力学模拟也将被用来研究在这些相同的近临界点流体中捕获的电子的能量。使用超临界流体和近临界点流体作为一种高度可调的溶剂来合成高纯度纳米颗粒和药物是一个新兴的技术领域。这项研究将促进我们对临界点流体的总体理解，因此，将为那些寻求在近临界点超临界流体中发展化学反应的人提供见解。该研究项目将吸引CUNY和ULM的研究生和本科生参与。本科生的研究经验(REU)活动将被整合到同步辐射装置实验中。

This project, supported by a grant to Professors Cherice M. Evans (Queens College - CUNY) and Gary L. Findley (University of Louisiana at Monroe) from the Chemical Structure, Dynamics, and Mechanisms Program of the Division of Chemistry, explores the interactions between solutes in a near critical point supercritical fluid (SCF). The experiments will employ a synchrotron radiation source (e.g., University of Wisconsin Synchrotron Radiation Center) to measure the ionization energies of dopant molecules within the fluid at various electric field strengths and fluid number densities. The results from these studies will yield the minimum energy of the conduction band, which will be compared to predicted values obtained from the local Wigner-Seitz model. Monte Carlo and molecular dynamics simulations will also be used to investigate the energy of a trapped electron in these same near critical point fluids. The use of supercritical fluids and near critical point fluids as a highly tunable solvent for the synthesis of high purity nanoparticles and pharmaceuticals is an emerging area of technology. This research will advance our understanding of critical point fluids in general and, therefore, will provide insights for those who seek to develop chemical reactions in near critical point SCFs. The research program will engage both graduate and undergraduate students at CUNY and ULM. A Research Experiences for Undergraduate (REU) activity will be integrated into the synchrotron radiation facility experiments.