ArticlePhysical review. E, Statistical, nonlinear, and soft matter physics2012
Analytical model for three-dimensional Mercedes-Benz water molecules.
Article in Physical review. E, Statistical, nonlinear, and soft matter physics, 2012. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 9 papers.
What it found
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Who cites it
9 citing papers in PubMed.
- Simple Model of Liquid Water Dynamics.The journal of physical chemistry. B · 2023Article
- Crustwater: Modeling Hydrophobic Solvation.The journal of physical chemistry. B · 2022Article
- Simple two-dimensional models of alcohols.Physical review. E · 2022Article
- Isothermal-isobaric algorithm to study the effects of rotational degrees of freedom-Benz water model.Journal of molecular liquids · 2022Article
- Analytical 2-Dimensional Model of Nonpolar and Ionic Solvation in Water.The journal of physical chemistry. B · 2021Article
- Modelling water with simple Mercedes-Benz models.Molecular simulation · 2019Article
- Water Is a Cagey Liquid.Journal of the American Chemical Society · 2018Article
- How Water's Properties Are Encoded in Its Molecular Structure and Energies.Chemical reviews · 2017Article
- Analytical theory of the hydrophobic effect of solutes in water.Physical review. E · 2017Article
Corrections and comments
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Authors and funding
1 author.
Funding
Abstract
We developed a statistical model which describes the thermal and volumetric properties of water-like molecules. A molecule is presented as a three-dimensional sphere with four hydrogen-bonding arms. Each water molecule interacts with its neighboring waters through a van der Waals interaction and an orientation-dependent hydrogen-bonding interaction. This model, which is largely analytical, is a variant of a model developed before for a two-dimensional Mercedes-Benz model of water. We explored properties such as molar volume, density, heat capacity, thermal expansion coefficient, and isothermal compressibility as a function of temperature and pressure. We found that the volumetric and thermal properties follow the same trends with temperature as in real water and are in good general agreement with Monte Carlo simulations, including the density anomaly, the minimum in the isothermal compressibility, and the decreased number of hydrogen bonds upon increasing the temperature.
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Registered trials
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