Structure formation of aqueous electrolyte solutions under extreme conditions by the extended RISM-approach. A possibility of predicting
✍ Scribed by M.V. Fedotova; R.D. Oparin; V.N. Trostin
- Publisher
- Elsevier Science
- Year
- 2001
- Tongue
- English
- Weight
- 671 KB
- Volume
- 91
- Category
- Article
- ISSN
- 0167-7322
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✦ Synopsis
In the present study the possibility to use the extended REM-approach in conjunction with the modified TIPS-water model for predicting structural properties of aqueous electrolyte solutions under extreme conditions (high pressure and high temperatures) is considered. The structural characteristics are computed by the site-site Omstein-Zemike integral equation in the framework of hypemetted chain closure for aqueous LiCl and NaCl solutions with different state parameters, The effect of temperature and pressure on structure formation of these systems is under observation during the research. The obtained results are compared with experimental structural work data and computer simulations for the same objects. The agreement between our data and those available from the literature proves the possibility to use the extended REM-approach for predicting structural parameters of liquid state systems in state parameter regions, which are problematic for making experiments.