A thermodynamic view on the microsolvation of ions by rare gas: application to Li+ with argon-Reference-Cited by-同舟云学术

A thermodynamic view on the microsolvation of ions by rare gas: application to Li+ with argon

Published:2020 Issue:19 Volume:22 Page:10882-10892
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Guimarães M. N.¹²³⁴^ORCID,M. de Almeida M.¹²³⁴^ORCID,Marques J. M. C.⁵⁶⁷⁸⁹^ORCID,Prudente F. V.¹²³⁴^ORCID

Affiliation:

1. Instituto de Física

2. Universidade Federal da Bahia

3. 40170-115 Salvador

4. Brazil

5. CQC

6. Department of Chemistry

7. University of Coimbra

8. 3004-535 Coimbra

9. Portugal

Abstract

Parallel tempering Monte Carlo calculations on the Li⁺Ar_n microsolvation clusters have shown that the two peaks appearing in the heat capacity curve as a function of temperature correspond to the melting of the second and first solvation shells.

Funder

Fundação para a Ciência e a Tecnologia

Conselho Nacional de Desenvolvimento Científico e Tecnológico

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2020/CP/D0CP01283A

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