泊松玻尔兹曼模型的三种分解式的比较研究

数学理论与应用 ›› 2021, Vol. 41 ›› Issue (1): 112-125.

• • 上一篇

泊松玻尔兹曼模型的三种分解式的比较研究

李姣¹, 呙蓉¹ ,胡嘉栾¹, 应金勇^2,*

1.长沙理工大学数学与统计学院，长沙，410114; 2.中南大学数学与统计学院，长沙，410083

出版日期:2021-03-30 发布日期:2021-08-10

The Comparison of Three Different Solution Decomposition Schemes for Poisson-Boltzmann Models

1.School of Mathematics and Statistics, Hunan Provincial Key Laboratory of Mathematical Modeling and Analysis in Engineering, Changsha University of Science and Technology, Changsha 410114, China； 2.School of Mathematics and Statistics, HNP-LAMA, Central South University, Changsha 410083, China

Online:2021-03-30 Published:2021-08-10
Contact: Ying Jinyong；E-mail：ying48882345@gmail.com
Supported by:
This work was partially supported by the National Natural Science Foundation of China (Grant No. 11701576 and 11501053), the Natural Science Foundation of Hunan Province (Grant No. 2019JJ50786), and Changsha University of Science and Technology (Grant No. JG2019YB16) .

摘要/Abstract

摘要： 为了处理泊松玻尔兹曼模型由生物分子中点电荷分布引起的奇异性，文献中提出了多种解的分解式.本文比较研究了泊松玻尔兹曼模型三种常用的解的分解式.即两项分解式、生物分子区域的三项分解式、以及整个区域上的三项分解式.并通过对一个带有解析解的小球模型的数值测试比较了三个分解式各自的优缺点.

关键词: 泊松玻尔兹曼模型 , 奇异性 , 两项分解式 , 三项分解式 , 生物分子

Abstract: To deal with the singularity in Poisson-Boltzmann models, which is caused by fixed charge distribution in biomolecules, several decomposition schemes have been proposed in literatures. In this paper, three commonly-used decomposition schemes for Poisson-Boltzmann models are reviewed and compared. That is, a two-term decomposition scheme, a three-term decomposition in biomolecular domain only, and a three-term decomposition in the whole domain. Numerical tests on a Born ball model with analytical solution show the performance of each scheme.

李姣呙蓉胡嘉栾应金勇 . 泊松玻尔兹曼模型的三种分解式的比较研究[J]. 数学理论与应用, 2021, 41(1): 112-125.

泊松玻尔兹曼模型的三种分解式的比较研究

The Comparison of Three Different Solution Decomposition Schemes for Poisson-Boltzmann Models

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