NaCl nucleation from brine in seeded simulations: Sources of uncertainty in rate estimates
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Title
NaCl nucleation from brine in seeded simulations: Sources of uncertainty in rate estimates
Authors
Keywords
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Journal
JOURNAL OF CHEMICAL PHYSICS
Volume 148, Issue 22, Pages 222838
Publisher
AIP Publishing
Online
2018-05-30
DOI
10.1063/1.5024009
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- Nucleation of NaCl from Aqueous Solution: Critical Sizes, Ion-Attachment Kinetics, and Rates
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