Article ; Online: Mechanism, Kinetics, and Potential of Mean Force of Evaporation of Water from Aqueous Sodium Chloride Solutions of Varying Concentrations.
The journal of physical chemistry. B
2023 Volume 127, Issue 20, Page(s) 4602–4612
Abstract: The mechanism, kinetics, and potential of mean force of evaporation of water from aqueous NaCl solutions are investigated through both unbiased molecular dynamics simulations and also biased simulations using the umbrella sampling method. The results are ...
Abstract | The mechanism, kinetics, and potential of mean force of evaporation of water from aqueous NaCl solutions are investigated through both unbiased molecular dynamics simulations and also biased simulations using the umbrella sampling method. The results are obtained for aqueous solutions of three different NaCl concentrations ranging from 0.6 to 6.0 m and also for pure water. The rate of evaporation is found to decrease in the presence of ions. It is found that the process of evaporation of a surface water molecule from ionic solutions can be triggered through its collision with another water or chloride ion. Such collisions provide the additional kinetic energy that is required for evaporation. However, when the collision takes place with a Cl |
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Language | English |
Publishing date | 2023-05-10 |
Publishing country | United States |
Document type | Journal Article |
ISSN | 1520-5207 |
ISSN (online) | 1520-5207 |
DOI | 10.1021/acs.jpcb.2c09004 |
Database | MEDical Literature Analysis and Retrieval System OnLINE |
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