Solubility model of metal complex in ionic liquids from first principle calculations

Karmakar, Anwesa; Mukundan, Rangachary; Yang, Ping; Batista, Enrique R.

doi:10.1039/C9RA04042K

Title: Solubility model of metal complex in ionic liquids from first principle calculations

Journal Article · 11 June 2019 · RSC Advances

DOI: https://doi.org/10.1039/C9RA04042K · OSTI ID:1525895

^[1]; Mukundan, Rangachary ^[2];

^[1];

^[1]

Theoretical Division, Los Alamos National Laboratory, Los Alamos 87545, USA
MPA-11 Division, Los Alamos National Laboratory, Los Alamos 87545, USA

A predictive model based on first principles calculations has been proposed to study the solid–liquid equilibria comprising of metal complexes and ionic liquids.

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Research Organization:: Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

Sponsoring Organization:: LANL Laboratory Directed Research and Development (LDRD) Program; USDOE

Grant/Contract Number:: 89233218CNA000001

OSTI ID:: 1525895

Report Number(s):: LA-UR--19-21357

Journal Information:: RSC Advances, Journal Name: RSC Advances Journal Issue: 32 Vol. 9; ISSN 2046-2069; ISSN RSCACL

Publisher:: Royal Society of Chemistry (RSC)Copyright Statement

Country of Publication:: United Kingdom

Language:: English

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