{"title":"浓水溶液的分子模拟:溶液中的离子平衡结构","authors":"W. Bartczak, Michal Zapalowski, K. Wolf","doi":"10.1117/12.435813","DOIUrl":null,"url":null,"abstract":"The computer simulation methods have been applied to study the structure of aqueous solutions of simple ionic salts in the region of very high concentrations. The calculations of ionic structures in solutions were performed for NaOH, NaCl, LiCl and MgCl2 solutions. The concentrations ranged from 0.2M to saturated solutions, in some case as much as 19M.","PeriodicalId":365405,"journal":{"name":"International Conference on Solid State Crystals","volume":"4412 1","pages":"0"},"PeriodicalIF":0.0000,"publicationDate":"2001-08-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"1","resultStr":"{\"title\":\"Molecular simulations of concentrated aqueous solutions: ionic equilibrium structures in solutions\",\"authors\":\"W. Bartczak, Michal Zapalowski, K. Wolf\",\"doi\":\"10.1117/12.435813\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"The computer simulation methods have been applied to study the structure of aqueous solutions of simple ionic salts in the region of very high concentrations. The calculations of ionic structures in solutions were performed for NaOH, NaCl, LiCl and MgCl2 solutions. The concentrations ranged from 0.2M to saturated solutions, in some case as much as 19M.\",\"PeriodicalId\":365405,\"journal\":{\"name\":\"International Conference on Solid State Crystals\",\"volume\":\"4412 1\",\"pages\":\"0\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2001-08-10\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"1\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"International Conference on Solid State Crystals\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.1117/12.435813\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"International Conference on Solid State Crystals","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1117/12.435813","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
Molecular simulations of concentrated aqueous solutions: ionic equilibrium structures in solutions
The computer simulation methods have been applied to study the structure of aqueous solutions of simple ionic salts in the region of very high concentrations. The calculations of ionic structures in solutions were performed for NaOH, NaCl, LiCl and MgCl2 solutions. The concentrations ranged from 0.2M to saturated solutions, in some case as much as 19M.
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