IDEAS home Printed from https://ideas.repec.org/a/eee/phsmap/v391y2012i3p439-455.html
   My bibliography  Save this article

Molecular mean field theory for liquid water

Author

Listed:
  • Kanth, Jampa Maruthi Pradeep
  • Anishetty, Ramesh

Abstract

Attractive bonding interactions between molecules typically have inherent conservation laws which influence the statistical properties of such systems in terms of corresponding sum rules. We have considered lattice water as an example, and we have enunciated the consequences of the sum rule through a general computational procedure called molecular mean field theory. Fluctuations about the mean field are computed and many of the liquid properties have been deduced and compared with Monte Carlo simulation, molecular dynamics, and experimental results. Large correlation lengths are seen to be a consequence of the sum rule in the liquid phase. Long-range Coulomb interactions are shown to have minor effects on our results.

Suggested Citation

  • Kanth, Jampa Maruthi Pradeep & Anishetty, Ramesh, 2012. "Molecular mean field theory for liquid water," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 391(3), pages 439-455.
    • Handle: RePEc:eee:phsmap:v:391:y:2012:i:3:p:439-455
    DOI: 10.1016/j.physa.2011.08.027
    as

    Download full text from publisher

    File URL: http://www.sciencedirect.com/science/article/pii/S0378437111006558
    Download Restriction: Full text for ScienceDirect subscribers only. Journal offers the option of making the article available online on Science direct for a fee of $3,000
    File URL: https://libkey.io/10.1016/j.physa.2011.08.027?utm_source=ideas
    LibKey link: if access is restricted and if your library uses this service, LibKey will redirect you to where you can use your library subscription to access this item
    ---><---

    As the access to this document is restricted, you may want to search for a different version of it.

    References listed on IDEAS

    as
    1. Meijer, Paul H.E. & Kikuchi, Ryoichi & Papon, Pierre, 1981. "Phase diagram of water based on a lattice model," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 109(3), pages 365-381.
    2. Jeffrey R. Errington & Pablo G. Debenedetti, 2001. "Relationship between structural order and the anomalies of liquid water," Nature, Nature, vol. 409(6818), pages 318-321, January.
    Full references (including those not matched with items on IDEAS)

    Citations

    Citations are extracted by the CitEc Project, subscribe to its RSS feed for this item.
    as


    Cited by:

    1. Kanth, Jampa Maruthi Pradeep & Anishetty, Ramesh, 2013. "Hydrophobic force, a Casimir-like effect due to hydrogen-bond fluctuations," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 392(20), pages 4804-4823.

    Most related items

    These are the items that most often cite the same works as this one and are cited by the same works as this one.
    1. Rizzatti, Eduardo Osório & Gomes Filho, Márcio Sampaio & Malard, Mariana & Barbosa, Marco Aurélio A., 2019. "Waterlike anomalies in the Bose–Hubbard model," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 518(C), pages 323-330.
    2. Rui Shi & Anthony J. Cooper & Hajime Tanaka, 2023. "Impact of hierarchical water dipole orderings on the dynamics of aqueous salt solutions," Nature Communications, Nature, vol. 14(1), pages 1-10, December.
    3. Cardoso, Daniel Souza & Hernandes, Vinicius Fonseca & Nogueira, T.P.O. & Bordin, José Rafael, 2021. "Structural behavior of a two length scale core-softened fluid in two dimensions," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 566(C).
    4. Bumstead, M. & Arnold, B. & Turak, A., 2017. "Reproducing morphologies of disorderly self-assembling planar molecules with static and dynamic simulation methods by matching density," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 471(C), pages 301-314.
    5. Stephan Thaler & Julija Zavadlav, 2021. "Learning neural network potentials from experimental data via Differentiable Trajectory Reweighting," Nature Communications, Nature, vol. 12(1), pages 1-10, December.
    6. Gorban, Alexander, 2007. "Order–disorder separation: Geometric revision," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 374(1), pages 85-102.
    7. Meijia Qiu & Peng Sun & Kai Han & Zhenjiang Pang & Jun Du & Jinliang Li & Jian Chen & Zhong Lin Wang & Wenjie Mai, 2023. "Tailoring water structure with high-tetrahedral-entropy for antifreezing electrolytes and energy storage at −80 °C," Nature Communications, Nature, vol. 14(1), pages 1-10, December.
    8. Stanley, H.Eugene & Buldyrev, Sergey V. & Giovambattista, Nicolas, 2004. "Static heterogeneities in liquid water," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 342(1), pages 40-47.
    9. Zhao Fan & Hajime Tanaka, 2024. "Microscopic mechanisms of pressure-induced amorphous-amorphous transitions and crystallisation in silicon," Nature Communications, Nature, vol. 15(1), pages 1-14, December.
    10. Nogueira, T.P.O. & Bordin, José Rafael, 2022. "Patterns in 2D core-softened systems: From sphere to dumbbell colloids," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 605(C).
    11. Girardi, Mauricio & Szortyka, Marcia & Barbosa, Marcia C., 2007. "Diffusion anomaly in a three-dimensional lattice gas," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 386(2), pages 692-697.
    12. Tomislav Begušić & Geoffrey A. Blake, 2023. "Two-dimensional infrared-Raman spectroscopy as a probe of water’s tetrahedrality," Nature Communications, Nature, vol. 14(1), pages 1-10, December.

    Corrections

    All material on this site has been provided by the respective publishers and authors. You can help correct errors and omissions. When requesting a correction, please mention this item's handle: RePEc:eee:phsmap:v:391:y:2012:i:3:p:439-455. See general information about how to correct material in RePEc.

    If you have authored this item and are not yet registered with RePEc, we encourage you to do it here. This allows to link your profile to this item. It also allows you to accept potential citations to this item that we are uncertain about.

    If CitEc recognized a bibliographic reference but did not link an item in RePEc to it, you can help with this form .

    If you know of missing items citing this one, you can help us creating those links by adding the relevant references in the same way as above, for each refering item. If you are a registered author of this item, you may also want to check the "citations" tab in your RePEc Author Service profile, as there may be some citations waiting for confirmation.

    For technical questions regarding this item, or to correct its authors, title, abstract, bibliographic or download information, contact: Catherine Liu (email available below). General contact details of provider: http://www.journals.elsevier.com/physica-a-statistical-mechpplications/ .

    Please note that corrections may take a couple of weeks to filter through the various RePEc services.

    IDEAS is a RePEc service. RePEc uses bibliographic data supplied by the respective publishers.