JOURNAL ARTICLE

The Dielectric Boundary Force in Molecular Solvation of the Generalized Poisson–Boltzmann Equation with Ionic Sizes.

  • Published In: International Journal of Computational Methods, 2023, v. 20, n. 4. P. 1 1 of 3

  • Database: Applied Science & Technology Source Ultimate 2 of 3

  • Authored By: Zhang, Qingxia; Zhang, Zhengfang; He, Mingyan; Shao, Xinping; Chen, Weifeng 3 of 3

Abstract

In molecular solvation, the size-modified electrostatic free energy is investigated. With the uniform ionic and solvent molecular sizes, the generalized Poisson–Boltzmann (PB) equation is considered. The first variation of the size-modified electrostatic free energy with respect to the location variation of the interface is derived. The concept of shape derivative is used to define such variations. The explicit formula of the dielectric boundary force is derived. [ABSTRACT FROM AUTHOR]

Additional Information

  • Source:International Journal of Computational Methods. 2023/04, Vol. 20, Issue 4, p1
  • Document Type:Article
  • Subject Area:Physics
  • Publication Date:2023
  • ISSN:02198762
  • DOI:10.1142/S0219876222500608
  • Accession Number:163631246
  • Copyright Statement:Copyright of International Journal of Computational Methods is the property of World Scientific Publishing Company and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)

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