IDEAS home Printed from https://ideas.repec.org/a/eee/phsmap/v541y2020ics0378437119318400.html
   My bibliography  Save this article

Ionic dissolution and precipitation of KBF4 and NaBF4 aqueous solutions

Author

Listed:
  • Yang, Xin
  • Cheng, Ke
  • Zhao, Shi-Lin
  • Jia, Guo-zhu

Abstract

The investigation on tetrafluoroborate aqueous solutions is of great significance for the utilization of rare earth resources. We have performed a series of molecular dynamics simulations of KBF4 and NaBF4 aqueous solutions at concentrations ranging from 0.5 M to 2.5 M to investigate the solvation kinetics of ions. It has been found that the difference in solubility between KBF4 and NaBF4 depends on the direct interaction of ions with water molecules in the first hydrated shell. On average, water molecules spend more time in the immediate vicinity of Na+ ions than in the immediate vicinity of K+ ions and BF4− ions have more likely to form a contact ion pair with K+ ions. The static dielectric constant of KBF4 and NaBF4 aqueous solutions decreases and the dielectric relaxation time increases. The tetrahedral structure of water was found to exhibit varying degrees of distortion with the ion concentration of the solution studied herein. These findings highlight the importance of the first hydrated shell under solubility mechanism for KBF4 and NaBF4.

Suggested Citation

  • Yang, Xin & Cheng, Ke & Zhao, Shi-Lin & Jia, Guo-zhu, 2020. "Ionic dissolution and precipitation of KBF4 and NaBF4 aqueous solutions," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 541(C).
    • Handle: RePEc:eee:phsmap:v:541:y:2020:i:c:s0378437119318400
    DOI: 10.1016/j.physa.2019.123283
    as

    Download full text from publisher

    File URL: http://www.sciencedirect.com/science/article/pii/S0378437119318400
    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.2019.123283?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. Sebastián Balasch & Rafael Romero & Alberto Ferrer, 2004. "A Logistic Regression Model Applied to Evaluate the Influence of Operating Time of AgI Ground Acetonic Generators on the Size and Hardness of Hail," Natural Hazards: Journal of the International Society for the Prevention and Mitigation of Natural Hazards, Springer;International Society for the Prevention and Mitigation of Natural Hazards, vol. 32(3), pages 345-355, July.
    2. Joel G. Davis & Kamil P. Gierszal & Ping Wang & Dor Ben-Amotz, 2012. "Water structural transformation at molecular hydrophobic interfaces," Nature, Nature, vol. 491(7425), pages 582-585, November.
    Full references (including those not matched with items on IDEAS)

    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. Marques, Murilo S. & Lomba, Enrique & Noya, Eva G. & González-Salgado, Diego & Barbosa, Marcia, 2021. "Modeling the temperature of maximum density of aqueous tert-butanol solutions," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 582(C).
    2. Zhang, Zhengcai & Kusalik, Peter G. & Wu, Nengyou & Liu, Changling & Zhang, Yongchao, 2022. "Molecular simulation study on the stability of methane hydrate confined in slit-shaped pores," Energy, Elsevier, vol. 257(C).
    3. Aleksandar Slavchev & Zoltan Kovacs & Haruki Koshiba & Airi Nagai & György Bázár & Albert Krastanov & Yousuke Kubota & Roumiana Tsenkova, 2015. "Monitoring of Water Spectral Pattern Reveals Differences in Probiotics Growth When Used for Rapid Bacteria Selection," PLOS ONE, Public Library of Science, vol. 10(7), pages 1-18, July.

    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:541:y:2020:i:c:s0378437119318400. 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.