Substitutional NaCl hydration in ice

Physical Review B - Condensed Matter and Materials Physics

Volumn 75, Issue 21, 2007, Pages

  Feibelman, Peter J ^a  

^a SANDIA NATIONAL LABORATORIES   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 34347325080     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.75.214113     Document Type: Article

References (22)

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19. Comparing the simulation results to structures computed from first principles at 0 K assumes that the latter would not change appreciably in first-principles simulations at 150 K. With T times the entropy of ice no more than 0.04 eV, at 150 K [see G. P. Johari, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.481735 112, 10957 (2000), Fig. 2] and the energy advantage of substitutional hydration amounting to ∼1.5 eV, this seems an excellent assumption.
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