Atomistic Simulation of Poly(dimethylsiloxane) Permeability Properties to Gases and n-Alkanes

A recently developed atomistic force field for poly(dimethylsiloxane) (PDMS) is used to calculate the permeability properties of the polymer to light gases and to n-alkanes. The torsional potential barrier is re-estimated compared to the original force field. Chain dynamics and chain sizes are affec...

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Bibliographic Details

Published in:	Macromolecules Vol. 41; no. 15; pp. 5899 - 5907
Main Authors:	Makrodimitri, Zoi A, Economou, Ioannis G
Format:	Journal Article
Language:	English
Published:	Washington, DC American Chemical Society 12-08-2008
Subjects:	Applied sciences Exact sciences and technology Inorganic and organomineral polymers Physicochemistry of polymers Properties and characterization Gaseous permeation Dimethylsiloxane polymer Gas permeability Transport properties Gaseous diffusion Computer simulation Alkane Force field method Theoretical study Activation energy
Online Access:	Get full text
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