Multiscale Modeling of Structure, Transport and Reactivity in Alkaline Fuel Cell Membranes: Combined Coarse-Grained, Atomistic and Reactive Molecular Dynamics Simulations.

Dong, Dengpan; Zhang, Weiwei; Barnett, Adam; Lu, Jibao; Van Duin, Adri C T; Molinero, Valeria; Bedrov, Dmitry

Dong, Dengpan; Zhang, Weiwei; Barnett, Adam; Lu, Jibao; Van Duin, Adri C T; Molinero, Valeria; Bedrov, Dmitry.

Afiliación

Dong D; Department of Materials Science and Engineering, University of Utah, 122 South Central Campus Drive, Room 304, Salt Lake City, UT 84112, USA. cherrydons@hotmail.com.
Zhang W; Department of Mechanical and Nuclear Engineering, Pennsylvania State University, University Park, PA 16802, USA. wzz2@psu.edu.
Barnett A; Department of Chemistry, The University of Utah, 315 South 1400 East, Salt Lake City, UT 84112, USA. adam.barnett@utah.edu.
Lu J; Department of Chemistry, The University of Utah, 315 South 1400 East, Salt Lake City, UT 84112, USA. jibao.lu@siat.ac.cn.
Van Duin ACT; Department of Mechanical and Nuclear Engineering, Pennsylvania State University, University Park, PA 16802, USA. acv13@engr.psu.edu.
Molinero V; Department of Chemistry, The University of Utah, 315 South 1400 East, Salt Lake City, UT 84112, USA. valeria.molinero@utah.edu.
Bedrov D; Department of Materials Science and Engineering, University of Utah, 122 South Central Campus Drive, Room 304, Salt Lake City, UT 84112, USA. d.bedrov@utah.edu.

Polymers (Basel) ; 10(11)2018 Nov 20.

Article en En | MEDLINE | ID: mdl-30961214

Palabras clave

alkaline fuel cells; atomistic and coarse-grained models; multiscale molecular simulations; polymer membranes; reactive molecular simulations

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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: Polymers (Basel) Año: 2018 Tipo del documento: Article País de afiliación: Estados Unidos Pais de publicación: Suiza

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