Unraveling the Dynamics of Aminopolymer/Silica Composites | Zendy

JanMichael Y. Carrillo | Zendy; Miles A. SakwaNovak | Zendy; Adam Holewinski | Zendy; Matthew E. Potter | Zendy; Gernot Rother | Zendy; Christopher W. Jones | Zendy; Bobby G. Sumpter | Zendy

AI Assistant Blog Pricing

Home ZAIA Blog

Open Access

Unraveling the Dynamics of Aminopolymer/Silica Composites

Author(s) -

JanMichael Y. Carrillo,

Miles A. SakwaNovak,

Adam Holewinski,

Matthew E. Potter,

Gernot Rother,

Christopher W. Jones,

Bobby G. Sumpter

Publication year - 2016

Publication title -

langmuir

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 1.042

H-Index - 333

eISSN - 1520-5827

pISSN - 0743-7463

DOI - 10.1021/acs.langmuir.5b04299

Subject(s) - polymer , monomer , molecular dynamics , materials science , neutron scattering , composite material , adsorption , porosity , mesoporous silica , chemical physics , solvent , composite number , porous medium , polymer adsorption , scattering , mesoporous material , chemical engineering , chemistry , computational chemistry , organic chemistry , optics , physics , catalysis , engineering

The structure and dynamics of a model branched polymer was investigated through molecular dynamics simulations and neutron scattering experiments. The polymer confinement, monomer concentration, and solvent quality were varied in the simulations and detailed comparisons between the calculated structural and dynamical properties of the unconfined polymer and those confined within an adsorbing and nonadsorbing cylindrical pore, representing the silica based structural support of the composite, were made. The simulations show a direct relationship in the structure of the polymer and the nonmonotonic dynamics as a function of monomer concentration within an adsorbing cylindrical pore. However, the nonmonotonic behavior disappears for the case of the branched polymer within a nonadsorbing cylindrical pore. Overall, the simulation results are in good agreement with quasi-elastic neutron scattering (QENS) studies of branched poly(ethylenimine) in mesoporous silica (SBA-15) of comparable size, suggesting an approach that can be a useful guide for understanding how to tune porous polymer composites for enhancing desired dynamical and structural behavior targeting carbon dioxide adsorption.

The content you want is available to Zendy users.

Already have an account? Click here to sign in.

Having issues? You can contact us here

Accelerating Research