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Dissolution dynamic...
Dissolution dynamics of NaCl nanocrystal in liquid water
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Yang, Yong (author)
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Meng, Sheng, 1981 (author)
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Xu, Lifang (author)
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Wang, Enge, 1957 (author)
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- Gao, Shiwu, 1963 (author)
- Gothenburg University,Göteborgs universitet,Institutionen för fysik (GU),Department of Physics (GU)
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(creator_code:org_t)
- 2005
- 2005
- English.
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In: PHYSICAL REVIEW E. ; 72:1, s. 012602-
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https://doi.org/10.1...
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Abstract
Subject headings
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- The dissolution dynamics of a NaCl nanocrystal in liquid water was studied using molecular dynamics simulations. The dissolution process was found to start with a Cl- ion at a corner site, followed by a Na+ ion nearby. Both show directional preference in the dissolution path. An ion sequence with alternating charge, i.e., Cl-, Na+, Cl-, Na+, etc. was found to dominate the dissolution process. This image can be understood from the ionic hydration structures and the Coulomb interaction between the ions.
Subject headings
- NATURVETENSKAP -- Fysik -- Den kondenserade materiens fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences -- Condensed Matter Physics (hsv//eng)
Keyword
- TRANSITION
- WAVE BASIS-SET
- DISSOCIATION
- TOTAL-ENERGY CALCULATIONS
- SIMULATION
- PARTICLE MESH EWALD
- INITIO MOLECULAR-DYNAMICS
- SOLVATION
- SODIUM-CHLORIDE
- AQUEOUS-SOLUTION
- INITIO MOLECULAR-DYNAMICS; TOTAL-ENERGY CALCULATIONS; PARTICLE MESH EWALD; WAVE BASIS-SET; SODIUM-CHLORIDE; AQUEOUS-SOLUTION; TRANSITION; SIMULATION; DISSOCIATION; SOLVATION
Publication and Content Type
- art (subject category)
- ref (subject category)
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