High Temperature Stability of Hydrated Ion Pairs Na+Cl–(H2O)N under Conditions of a Flat Nanopore
- 作者: Shevkunov S.V.1
- 
							隶属关系: 
							- Peter-the-Great St. Petersburg Polytechnic University
 
- 期: 卷 54, 编号 2 (2018)
- 页面: 153-169
- 栏目: Article
- URL: https://journals.rcsi.science/1023-1935/article/view/189253
- DOI: https://doi.org/10.1134/S1023193518020064
- ID: 189253
如何引用文章
详细
The high-temperature stability of hydrated ion pairs under conditions of a nanoscopic flat pore with hydrophobic structureless walls is studied by computer simulations. The limited space of the nanopore stimulates dissociation of the contact ion pair (CIP) with its transition to the state of the solvent-separated ion pair (SSIP); moreover, the ion pair demonstrates a high degree of stability on heating. The inverse temperature effect where the heating renders a moderate consolidating effect on the state of a hydrated contact ion pair is observed: when heated to the electrolyte boiling point, the free energy barrier that separates the CIP and SSIP states shifts by 2 molecules towards the larger hydration shells. On the pressure scale, the boundary between CIP and SSIP states shifts at the same rate as the saturating pressure with the increase in the temperature.
作者简介
S. Shevkunov
Peter-the-Great St. Petersburg Polytechnic University
							编辑信件的主要联系方式.
							Email: shevk54@mail.ru
				                					                																			                												                	俄罗斯联邦, 							St. Petersburg, 195251						
补充文件
 
				
			 
						 
						 
					 
						 
						 
				 
  
  
  
  
  电邮这篇文章
			电邮这篇文章  开放存取
		                                开放存取 ##reader.subscriptionAccessGranted##
						##reader.subscriptionAccessGranted## 订阅存取
		                                		                                        订阅存取
		                                					