Incorporation of Nonelectrostatic Interactions in the Poisson−Boltzmann Equation
We develop a general formalism for including nonelectrostatic interactions, such as excluded volume interactions, in the Poisson−Boltzmann (PB) equation. The resulting theory can be applied to any boundary condition and is as easy to numerically implement as the original PB equation. As a specific e...
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Veröffentlicht in: | Langmuir 1999-05, Vol.15 (11), p.3726-3730 |
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creator | Lue, L Zoeller, N Blankschtein, D |
description | We develop a general formalism for including nonelectrostatic interactions, such as excluded volume interactions, in the Poisson−Boltzmann (PB) equation. The resulting theory can be applied to any boundary condition and is as easy to numerically implement as the original PB equation. As a specific example, we combine the PB equation with the Boublik−Mansoori−Carnahan−Starling equation of state to model charged hard-sphere systems. This theory is applied to a charged sphere immersed in a salt solution, and the electric field and ion distribution about the sphere are computed. |
doi_str_mv | 10.1021/la9813376 |
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The resulting theory can be applied to any boundary condition and is as easy to numerically implement as the original PB equation. As a specific example, we combine the PB equation with the Boublik−Mansoori−Carnahan−Starling equation of state to model charged hard-sphere systems. 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This theory is applied to a charged sphere immersed in a salt solution, and the electric field and ion distribution about the sphere are computed.</description><subject>Chemistry</subject><subject>Exact sciences and technology</subject><subject>General and physical chemistry</subject><subject>Solution properties</subject><subject>Solutions</subject><issn>0743-7463</issn><issn>1520-5827</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>1999</creationdate><recordtype>article</recordtype><recordid>eNptkEtOwzAQhi0EEqWw4AZZwIJFwI5TP5a0KlCpgqqUteW4E5GS2sV2JcoJWHNETkJKUNmwmZHm_-b1I3RK8CXBGbmqtRSEUs72UIf0Mpz2RMb3UQfznKY8Z_QQHYWwwBhLmssOmo6scX7lvI6Vs4krk3tnoQYTvQuxKZpkZCN4bbZ6SCqbxGdIJq4Kwdmvj8--q-P7UlubDF_XP0OO0UGp6wAnv7mLnm6Gs8FdOn64HQ2ux6mmWR5TWTDQAByoEFlZSAwSWGZYDkwbNoeCalbOC0FKSQtOWEGBz5khkmKaQRO66KKda5pTg4dSrXy11H6jCFZbM9TOjIY9a9mVDkbXpdfWVOGvQWBGqWiwtMWqEOFtJ2v_ohinvKdmk0c14NPxrC_6Km_485bXJqiFW3vbPPzP-m8FNXws</recordid><startdate>19990525</startdate><enddate>19990525</enddate><creator>Lue, L</creator><creator>Zoeller, N</creator><creator>Blankschtein, D</creator><general>American Chemical Society</general><scope>BSCLL</scope><scope>IQODW</scope><scope>AAYXX</scope><scope>CITATION</scope></search><sort><creationdate>19990525</creationdate><title>Incorporation of Nonelectrostatic Interactions in the Poisson−Boltzmann Equation</title><author>Lue, L ; Zoeller, N ; Blankschtein, D</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-a324t-9b6eaee7e3882fb90e9e62c64e6ac6deb3a6fdb81f93b716b3e7d6c193032e303</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>1999</creationdate><topic>Chemistry</topic><topic>Exact sciences and technology</topic><topic>General and physical chemistry</topic><topic>Solution properties</topic><topic>Solutions</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Lue, L</creatorcontrib><creatorcontrib>Zoeller, N</creatorcontrib><creatorcontrib>Blankschtein, D</creatorcontrib><collection>Istex</collection><collection>Pascal-Francis</collection><collection>CrossRef</collection><jtitle>Langmuir</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Lue, L</au><au>Zoeller, N</au><au>Blankschtein, D</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Incorporation of Nonelectrostatic Interactions in the Poisson−Boltzmann Equation</atitle><jtitle>Langmuir</jtitle><addtitle>Langmuir</addtitle><date>1999-05-25</date><risdate>1999</risdate><volume>15</volume><issue>11</issue><spage>3726</spage><epage>3730</epage><pages>3726-3730</pages><issn>0743-7463</issn><eissn>1520-5827</eissn><coden>LANGD5</coden><abstract>We develop a general formalism for including nonelectrostatic interactions, such as excluded volume interactions, in the Poisson−Boltzmann (PB) equation. The resulting theory can be applied to any boundary condition and is as easy to numerically implement as the original PB equation. As a specific example, we combine the PB equation with the Boublik−Mansoori−Carnahan−Starling equation of state to model charged hard-sphere systems. This theory is applied to a charged sphere immersed in a salt solution, and the electric field and ion distribution about the sphere are computed.</abstract><cop>Washington, DC</cop><pub>American Chemical Society</pub><doi>10.1021/la9813376</doi><tpages>5</tpages></addata></record> |
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subjects | Chemistry Exact sciences and technology General and physical chemistry Solution properties Solutions |
title | Incorporation of Nonelectrostatic Interactions in the Poisson−Boltzmann Equation |
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