Thermodynamic Modeling of Aqueous LiCl, LiBr, LiI, and LiNO3 Solutions

Kirkes, Toni E.; Saravi, Sina H.; Chen, Chau-Chyun

doi:10.1016/j.fluid.2020.112914

Thermodynamic Modeling of Aqueous LiCl, LiBr, LiI, and LiNO₃ Solutions

Journal Article · Tue Dec 01 04:00:00 EST 2020 · Fluid Phase Equilibria

DOI:https://doi.org/10.1016/j.fluid.2020.112914· OSTI ID:1768844

^[1]; Saravi, Sina H. ^[2]; ^[2]

Texas Tech Univ., Lubbock, TX (United States); RAPID Manufacturing Institute
Texas Tech Univ., Lubbock, TX (United States)

Thermodynamic models are essential to facilitate the advancement of process design, optimization, and operation of electrolyte systems. In this work, a comprehensive thermodynamic framework based on the Electrolyte Nonrandom Two-Liquid model is developed to calculate phase equilibria behavior and salt solubility of aqueous LiCl, LiBr, LiI, and LiNO₃ solutions. The model describes the non-ideality of the electrolyte solutions by using two binary interaction parameters for each electrolyte-molecule pair in the system. Each binary interaction parameter is further expressed with up to three temperature coefficients which are regressed from experimental data. To take into account the hydration of lithium ion, two separate chemistries for the dissociation of lithium salts are investigated. In the first case, the lithium ion is considered as a bare ion, Li⁺, while in the second case hydration of the lithium ion from Li⁺ to Li(H₂O)⁺ is considered. Here, the calculated thermodynamic properties compare adequately with the experimental data for both sets of chemistries for concentrations up to saturation and temperatures from 273.15 K up to 623.15 K. Moderate to significant improvements are observed with the incorporation of the hydration chemistry for aqueous LiCl, LiBr, and LiI solutions when compared to the non-hydrated lithium ion model results.

View Accepted Manuscript (DOE)

Research Organization:: RAPID Manufacturing Inst., Newark, DE (United States)

Sponsoring Organization:: USDOE Office of Energy Efficiency and Renewable Energy (EERE)

Grant/Contract Number:: EE0007888

OSTI ID:: 1768844

Alternate ID(s):: OSTI ID: 2325166

Journal Information:: Fluid Phase Equilibria, Journal Name: Fluid Phase Equilibria Vol. 531; ISSN 0378-3812

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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