期刊
JOURNAL OF PHYSICAL CHEMISTRY B
卷 124, 期 51, 页码 11730-11737出版社
AMER CHEMICAL SOC
DOI: 10.1021/acs.jpcb.0c10036
关键词
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资金
- Institute for Molecular Science and Molecular Photoscience Research Center at Kobe University
- JSPS KAKENHI Grant [JP18K14185, JP16H02254]
- Indo (DST)-Japan (JSPS) bilateral collaboration program
- Indo (DST)-Japan (JSPS) bilateral seminar
The collective orientation relaxation (COR) of water molecules in aqueous solutions is faster or slower with an increase in the concentration of the solutions than that in pure water; for example, acceleration (deceleration) of the COR is observed in a solution of sodium chloride (tetramethylammonium chloride) with increasing concentration. However, the molecular mechanism of the solution and concentration dependence of the relaxation time of the COR has not yet been clarified. We theoretically investigate the concentration dependence of the COR. of water molecules in solutions of tetramethylammonium chloride (TMACI), guanidinium chloride (GdmCl), and sodium chloride (NaCI). Based on the Mori-Zwanzig equation, we identify two opposing factors that determine the COR of water molecules in any aqueous solution: the correlation of dipole moments and the single-molecule orientation relaxation. We reveal the molecular mechanism of the concentration dependence of the relaxation time of the COR in the TMACI, GdmCI, and NaCI solutions in terms of these two factors.
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