Add time:07/25/2019         Source:sciencedirect.com

We use the molecular dynamics (MD) simulations to study the important properties of gas X (X=H2O, CH4, O2) adsorbed-poly(4-methyl-1-pentene) (PMP) and our results clarify that the H2O and CH4 molecules can increase the glass transition temperature (Tg) of PMP while O2 molecules can decrease the Tg of PMP. Moreover, all the jump values of MSD for pure PMP and gas-adsorbed PMP fall behind the corresponding Tg and demonstrate the hindrance of the chain segment motion is reduced at high elastic state. In addition, the calculated Young's modulus (E), Bulk modulus (K), Shear modulus (G) and Poisson’s ratio (γ) indicate the CH4-adsorbed PMP system has a remarkable mechanical property and the K/G and Cauchy pressure (C12−C44) also present it has an outstanding ductility. Therefore, CH4-adsorbed PMP foam is considered as a promising candidate target in ICF experiment.

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