RUI: Gaseous Ion Transport Coefficients for Polyatomic Systems

查塔姆学院的Larry A.Viehland通过RUI奖得到理论和计算化学计划的支持，继续研究离子在稀薄气体中微量移动的输运性质。方法的发展包括一种计算输运系数的新方案，该方案将允许对从头算势能面进行测试。求解气体中离子振动的动力学方程的工作也在进行中，以此作为计算传输截面的输入。这些方法的应用包括离子陷阱中的离子速度和温度。与橡树岭国家实验室的研究人员以及俄罗斯和英国的大学正在进行合作。这项工作正在产生更广泛的影响，因为它提供了对离子传输的基本了解，在行星和燃烧化学以及质谱学中具有潜在的应用。让女本科生和代表性不足的少数群体参与可发表的研究会产生额外的影响。查塔姆学院仍然是美国为数不多的S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.