How does microwave irradiation affect the mechanism of water reorientation

作者: Tomaž Mohorič , Urban Bren

DOI: 10.1016/J.MOLLIQ.2020.112522

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摘要: Abstract We employed non-equilibrium molecular dynamics simulations to investigate the hydrogen-bond in bulk water upon microwave heating. Microwave irradiation has been taken into account implicitly by performing at a rotational temperature exceeding translational one (Tr > Tt). have shown that effect of an increased Tr results modified geometry average path for switch and decreased characteristic decay times reorientation molecule. also confirmed validity extended jump model describe under studied conditions.

参考文章(52)
Jakob Petersen, Klaus B. Møller, Rossend Rey, James T. Hynes, Ultrafast librational relaxation of H2O in liquid water. Journal of Physical Chemistry B. ,vol. 117, pp. 4541- 4552 ,(2013) , 10.1021/JP308648U
Walter Kauzmann, David S. Eisenberg, The Structure and Properties of Water ,(1969)
Dominik Marx, Mark E. Tuckerman, Jürg Hutter, Michele Parrinello, The nature of the hydrated excess proton in water Nature. ,vol. 397, pp. 601- 604 ,(1999) , 10.1038/17579
Damien Laage, James T Hynes, A molecular jump mechanism of water reorientation. Science. ,vol. 311, pp. 832- 835 ,(2006) , 10.1126/SCIENCE.1122154
Douglas D. Young, Jason Nichols, Robert M. Kelly, Alexander Deiters, Microwave activation of enzymatic catalysis. Journal of the American Chemical Society. ,vol. 130, pp. 10048- 10049 ,(2008) , 10.1021/JA802404G
Urban Bren, Dušanka Janežič, Individual degrees of freedom and the solvation properties of water Journal of Chemical Physics. ,vol. 137, pp. 024108- 024108 ,(2012) , 10.1063/1.4732514
Wen-Yan Tian, Ka-Ma Huang, Li-Jun Yang, Yi-Na Guo, Feng-Hai Liu, Investigate the microscopic properties and the non-thermal effect of the electrolyte solution under microwave irradiation Chemical Physics Letters. ,vol. 607, pp. 15- 20 ,(2014) , 10.1016/J.CPLETT.2014.05.042
Matevž Bren, Dušanka Janežič, Urban Bren, Microwave catalysis revisited: an analytical solution. Journal of Physical Chemistry A. ,vol. 114, pp. 4197- 4202 ,(2010) , 10.1021/JP100374X
José-Antonio Garate, Niall J. English, J. M. D MacElroy, Static and alternating electric field and distance-dependent effects on carbon nanotube-assisted water self-diffusion across lipid membranes. Journal of Chemical Physics. ,vol. 131, pp. 114508- 114508 ,(2009) , 10.1063/1.3227042
Urban Bren, Andrej Kržan, Janez Mavri, Microwave Catalysis through Rotationally Hot Reactive Species Journal of Physical Chemistry A. ,vol. 112, pp. 166- 171 ,(2008) , 10.1021/JP709766C