Molecular simulation of the structure and physical properties of alkali nitrate salts for thermal energy storage

Haiou Ni, Jie Wu, Ze Sun, Guimin Lu and Jianguo Yu

Renewable Energy, 2019, vol. 136, issue C, 955-967

Abstract: Molecular dynamics simulation method with an improved flexible nitrate model was used in this paper to study the structure and properties of molten LiNO3, NaNO3, and KNO3. Both local structure and physical properties including densities, thermal conductivities, viscosities and heat capacities of the salts were simulated comprehensively. Different simulation methods were used and the results were compared with experimental data. The relationship between the structure and properties of the salts were discussed. Besides, a binary mixture of NaNO3 and KNO3 was also simulated to verify the applicability of the force field and simulation method for salt mixtures. The results indicate that the force field and simulation methods adopted in this paper work well in predicting the properties of both single nitrate salts and their mixtures. This paper did a basis job for further investigation into the simulation of nitrate salt mixtures used in thermal energy storage.

Keywords: Energy storage; Molecular dynamics simulation; Nitrate salts; Molten salt; Physical properties (search for similar items in EconPapers)
Date: 2019
References: View references in EconPapers View complete reference list from CitEc
Citations: View citations in EconPapers (4)

Downloads: (external link)
http://www.sciencedirect.com/science/article/pii/S0960148119300448
Full text for ScienceDirect subscribers only

Related works:
This item may be available elsewhere in EconPapers: Search for items with the same title.

Export reference: BibTeX RIS (EndNote, ProCite, RefMan) HTML/Text

Persistent link: https://EconPapers.repec.org/RePEc:eee:renene:v:136:y:2019:i:c:p:955-967

DOI: 10.1016/j.renene.2019.01.044

Access Statistics for this article

Renewable Energy is currently edited by Soteris A. Kalogirou and Paul Christodoulides

More articles in Renewable Energy from Elsevier
Bibliographic data for series maintained by Catherine Liu ().