Physics and Chemistry of Hydrogen-Bonded Nanoparticles and Their Interactions with Strong Adsorbates

俄克拉荷马州立大学的保罗·德夫林受到实验物理化学计划的支持，在分子水平上研究冰纳米颗粒的性质及其与强吸附物质的相互作用。研究集中在两个方面：(1)二维溶剂化：氢键纳米粒子表面酸吸附的光谱研究；(2)冰粒的电学性质。傅立叶变换红外光谱和计算机模拟方法将指导我们努力了解水、冰和甲醇颗粒表面的比较性质，以及它们各自与温度低于140K的强氢键吸附物质的相互作用，特别强调能够裂解正常氢键的吸附物质，如HCl、HBr、HI、HF和硝酸。甲醇颗粒将使研究成为对水冰研究的补充，并有望带来对这两个系统的新见解。对冰纳米粒子电学性质的研究旨在促进分子水平上对离子和取向缺陷的表面和内部迁移率等问题的理解。希伯来大学的理论家维多利亚·布赫和其他人将继续合作。这项研究的结果预计将对大气、行星和生化科学的相关问题产生影响。冰在各种自然现象中发挥着重要作用，包括降水、电暴、大气化学和空间科学。这项研究有望加深对冰表面结构和分子在冰纳米晶体上强吸附和弱吸附机制的理解。结果将与当前感兴趣的科学领域相关，包括生化系统中的氢键，大气中的质子转移和传输，以及大气中带电冰粒的性质。此外，这项研究有望提高对木星结冰卫星大气的日变化、星际尘埃颗粒的结冰地幔的化学以及在燃料科学中重要的笼状水合物的理解。

Paul Devlin of Oklahoma State University is supported by the Experimental Physical Chemistry Program to study the properties of icy nanoparticles and their interactions with strong adsorbates at the molecular level. The research focuses on two topics: (1) solvation in two dimensions: spectroscopic studies of acid adsorbates on surfaces of hydrogen-bonded nanoparticles, and (2) electrical properties of ice particles. Fourier transform infrared spectroscopy and computer simulation methods will guide the effort to understand the comparative nature of water ice and methanol particle surfaces, and their respective interactions with strong hydrogen-bonding adsorbates at temperatures less than 140 K. Adsorbates capable of cleaving normal hydrogen bonds, such as the acids HCl, HBr, HI, HF, and nitric acid, will be given a special emphasis. Methanol particles will enable studies complementary to those for water ice, and are expected to lead to new insights into both systems. Studies into electrical properties of ice nanoparticles aim to advance molecular level understanding of issues including surface and interior mobility of ionic and orientational defects. Collaborations will continue with theorist Victoria Buch of Hebrew University, and others. The outcomes of this research are expected to impact related problems in atmospheric, planetary, and biochemical sciences.Ice plays an important role in a variety of natural phenomena, including precipitation, electrical storms, atmospheric chemistry, and space science. This research is expected to lead to increased understanding of the structure of ice surfaces and the mechanisms by which molecules adsorb strongly and weakly onto ice nanocrystals. Results will be pertinent to scientific areas of current interest, including hydrogen bonding in biochemical systems, proton transfer and transport in the atmosphere, and properties of charged icy particles in the atmosphere. In addition, this research is expected to improve the understanding of diurnal variations in the atmospheres of the icy moons of Jupiter, chemistry of the icy mantels of interstellar dust particles, and clathrate hydrates important in fuel science.