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.