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

俄克拉荷马州州立大学的保罗·德夫林得到了实验物理化学计划的支持，研究冰冷纳米颗粒的性质及其与分子水平上强吸附物的相互作用。 研究主要集中在两个方面：（1）二维溶剂化：氢键纳米颗粒表面酸吸附物的光谱研究，以及（2）冰颗粒的电学性质。 傅里叶变换红外光谱和计算机模拟方法将指导理解水冰和甲醇颗粒表面的比较性质，以及它们在低于140 K的温度下与强氢键吸附物的相互作用。 吸附剂能够裂解正常的氢键，如酸盐酸，HBr，HI，HF和硝酸，将给予特别强调。 甲醇颗粒将使研究补充那些水冰，并有望导致新的见解这两个系统。 研究冰纳米粒子的电性能的目的是推进分子水平的理解问题，包括表面和内部的离子和取向缺陷的流动性。 合作将继续与理论家维多利亚布赫希伯来大学，和其他人。 这项研究的成果预计将影响大气，行星和生物化学科学的相关问题。冰在各种自然现象中发挥着重要作用，包括降水，电风暴，大气化学和空间科学。 这项研究有望增加对冰表面结构的理解，以及分子在冰纳米晶体上强烈和微弱吸附的机制。 结果将与当前感兴趣的科学领域有关，包括生物化学系统中的氢键，大气中的质子转移和运输，以及大气中带电冰粒子的特性。 此外，这项研究预计将提高对木星冰冷卫星大气层昼夜变化的理解，星际尘埃颗粒冰冷地幔的化学，以及燃料科学中重要的笼形水合物。

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.