首页 | 本学科首页   官方微博 | 高级检索  
     检索      


Can Water Clusters Ionize HCl under the Conditions of Arctic Stratosphere? 1. Intermolecular Interactions
Authors:S V Shevkunov
Institution:(1) St. Petersburg State Polytechnic University, ul. Politekhnicheskaya 29, St. Petersburg, 195251, Russia
Abstract:Pseudopotential model was constructed to simulate the H3O+(H2O) n Cl clusters at room and stratosphere temperatures using the Monte Carlo method. Numerical values of interaction parameters were restored from the experimental data on the free energy and entropy of vapor nucleation on ions in the combination with the data of quantum chemical calculations of the optimal configurations of HCl(H2O) n clusters. The stability of various cluster structures and the probability of the rupture of intramolecular HCl bond in these clusters were analyzed.
Keywords:
本文献已被 SpringerLink 等数据库收录!
设为首页 | 免责声明 | 关于勤云 | 加入收藏

Copyright©北京勤云科技发展有限公司  京ICP备09084417号