Solvation structure of the Chloride Lithium-ion pair at the supercooled state from Hybrid Reverse Monte Carlo simulation combined to neutron scattering
Document title: Solvation structure of the Chloride Lithium-ion pair at the supercooled state from Hybrid Reverse Monte Carlo simulation combined to neutron scattering
Journal: Revista mexicana de física
Database: PERIÓDICA
System number: 000439115
ISSN: 0035-001X
Authors: 1
1
3
2
Institutions: 1Ecole Superieure en Sciences Appliquees, Tlemcen. Argelia
2Universite Abou Bekr Belkaid Tlemcen, Laboratoire de Physique Theorique, Tlemcen. Argelia
3Universite Hassen II, Laboratoire de Physique des Polymeres et des Phenomenes Critiques, Casablanca. Marruecos
Year:
Season: May-Jun
Volumen: 66
Number: 3
Country: México
Language: Inglés
Document type: Artículo
Approach: Analítico, teórico
English abstract A detailed analysis of the hydration shells of the 9.26 molal LiCl aqueous solution at the intermediate metastable thermodynamic state between the liquid (300 k) and the glass (120 k). The structural modeling of the LiCl6H2O at the supercooled-liquid state is conducted employing the Hybrid Reverse Monte Carlo simulation, in combination with the neutron scattering data. The obtained pair distribution functions and the running coordination number are used as interpretive tools to examine the repartition of the water molecules around ions of lithium and chloride. HRMC represents a powerful tool to provide detailed information on the hydration shell structures through the obtained pair correlations
Disciplines: Física y astronomía,
Química
Keyword: Física de materia condensada,
Fisicoquímica y química teórica,
Funciones de distribución parciales y de pares,
Simulación HRMC,
Vidrio,
Estado líquido sobreenfriado
Keyword: Condensed matter physics,
Partial and pair distribution functions,
Physical and theoretical chemistry,
HRMC simulation,
Glass,
Supercooled-liquid state
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