Supercritical Water is not Hydrogen Bonded
نویسندگان
چکیده
منابع مشابه
Hydrogen bonding in supercritical water
We study the hydrogen bonding structure of water models at supercritical conditions by molecular dynamics to directly compare with recent microstructural data obtained by neutron diffraction with isotopic substitution (NDIS) experiments. We also study the angular dependence of the hydrogenoxygen pair distribution function to gain insight into the hydrogen bonding mechanism in the molecular mode...
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The pressure and temperature-dependent linear absorption spectrum of partially deuterated water HOD dissolved in heavy water D(2)O was measured in the OH-stretching spectral region. The temperature was varied in the interval of 298 K</=T</=700 K while the density was changed within the range of 12 moll</=rho</=58 moll corresponding to the liquid and the supercritical phases of the fluid solutio...
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The (history independent) autocorrelation function for a hydrogen-bonded water molecule pair, calculated from classical molecular dynamics trajectories of liquid water, exhibits a t(-3/2) asymptotic tail. Its whole time dependence agrees quantitatively with the solution for reversible diffusion-influenced geminate recombination derived by Agmon and Weiss [J. Chem. Phys. 91, 6937 (1989)]. Agreem...
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We investigate the addition of stiffness to the lattice model of hydrogen-bonded polymers in two and three dimensions. We find that, in contrast to polymers that interact via a homogeneous short-range interaction, the collapse transition is unchanged by any amount of stiffness: this supports the physical argument that hydrogen bonding already introduces an effective stiffness. Contrary to possi...
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ژورنال
عنوان ژورنال: Angewandte Chemie
سال: 2020
ISSN: 0044-8249,1521-3757
DOI: 10.1002/ange.202009640