ArticleThe Journal of chemical physics2010
A statistical mechanical theory for a two-dimensional model of water.
Article in The Journal of chemical physics, 2010. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 14 papers.
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Who cites it
14 citing papers in PubMed.
- The Rose Model of Water: Linking Theory and Simulation.Entropy (Basel, Switzerland) · 2026Article
- Snowflake Model of Water: A Fast Approach for Calculation of Structural Properties of Liquid Water.Journal of chemical theory and computation · 2025Article
- Simple Model of Liquid Water Dynamics.The journal of physical chemistry. B · 2023Article
- Monte Carlo simulations of simple two dimensional water-alcohol mixtures.Journal of molecular liquids · 2022Article
- Statistical-mechanical liquid theories reproduce anomalous thermodynamic properties of explicit two-dimensional water models.Physical review. E · 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
- Analytical model for three-dimensional Mercedes-Benz water molecules.Physical review. E, Statistical, nonlinear, and soft matter physics · 2012Article
- Simple model of hydrophobic hydration.The journal of physical chemistry. B · 2012Article
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2 authors.
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Abstract
We develop a statistical mechanical model for the thermal and volumetric properties of waterlike fluids. Each water molecule is a two-dimensional disk with three hydrogen-bonding arms. Each water interacts with 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 the Truskett and Dill (TD) treatment of the "Mercedes-Benz" (MB) model. The present model gives better predictions than TD for hydrogen-bond populations in liquid water by distinguishing strong cooperative hydrogen bonds from weaker ones. We explore properties versus temperature T and pressure p. We find that the volumetric and thermal properties follow the same trends with T as real water and are in good general agreement with Monte Carlo simulations of MB water, including the density anomaly, the minimum in the isothermal compressibility, and the decreased number of hydrogen bonds for increasing temperature. The model reproduces that pressure squeezes out water's heat capacity and leads to a negative thermal expansion coefficient at low temperatures. In terms of water structuring, the variance in hydrogen-bonding angles increases with both T and p, while the variance in water density increases with T but decreases with p. Hydrogen bonding is an energy storage mechanism that leads to water's large heat capacity (for its size) and to the fragility in its cagelike structures, which are easily melted by temperature and pressure to a more van der Waals-like liquid state.
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