RUI: Gaseous Ion Transport Coefficients for Polyatomic Systems

拉里·A.查塔姆学院的Viehland通过RUI奖获得了理论和计算化学项目的支持，继续研究通过稀释气体移动的痕量离子的传输特性。方法的发展包括一个新的计划，计算传输系数，将允许从头测试势能面。 工作也正在进行中，以解决动力学方程的振动离子在气体中作为输入计算的运输截面。 这些方法的应用包括离子阱中的离子速度和温度。 目前正在与橡树岭国家实验室的研究人员以及俄罗斯和联合王国的大学进行合作。 这项工作具有更广泛的影响，提供了一个基本的了解离子传输与行星和燃烧化学以及质谱的潜在应用。 其他影响来自于女大学生和代表性不足的少数民族参与可持续研究。 查塔姆学院是美国为数不多的女子学院之一。

Larry A. Viehland of Chatham College is supported by the Theoretical and Computational Chemistry Program via an RUI award to continue research on transport properties of ions moving in trace amounts through dilute gases. Method developments include a new scheme for calculating transport coefficients that will allow testing of ab initio potential energy surfaces. Work is also underway to solve the kinetic equation for vibrating ions in gases as input for calculations of transport cross sections. Applications of these methods include ion velocities and temperatures in ion traps. Collaborations are underway with researchers at Oak Ridge National Laboratory and universities in Russian and the United Kingdom. This work is having a broader impact by providing a fundamental understanding of ion transport with potential applications in planetary and combustion chemistry as well as mass spectrometry. Additional impacts result from involving female undergraduates and underrepresented minorities in publishable research. Chatham College remains one of the few women''s colleges in the United States.