Molecular flexibility effects upon liquid dynamics.
作者： Julieanne V. Heffernan , Joanne Budzien , Aaron T. Wilson , Robert J. Baca , Victoria J. Aston
DOI: 10.1063/1.2730502
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摘要: Simulation results for the diffusive behavior of polymer chain/penetrant systems are analyzed. The attractive range and flexibility simple chain molecules were varied in order to gauge effect on dynamics. In all cases, dimensionless diffusion coefficient, D*, is found be a smooth, single-valued function packing fraction, η. functions D*(η) power laws with exponents that sensitive both stiffness particle type. For specific system type, D*’s penetrant chain-center-of-mass extrapolate zero at same η0. This limiting fraction interpreted location glass transition, (η0−η), distance transition.
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sci-hub.se 参考文章(38)
Jorge Kurchan, Jean-Louis Barrat, Mikhail Feigelman, Slow Relaxations and nonequilibrium dynamics in condensed matter srnd. ,(2004) , 10.1007/B80352
Robin J. Speedy, Diffusion in the hard sphere fluid Molecular Physics. ,vol. 62, pp. 509- 515 ,(1987) , 10.1080/00268978700102371
Walter Kob, Hans C. Andersen, Testing mode-coupling theory for a supercooled binary Lennard-Jones mixture. II. Intermediate scattering function and dynamic susceptibility Physical Review E. ,vol. 52, pp. 4134- 4153 ,(1995) , 10.1103/PHYSREVE.52.4134
Joanne Budzien, John D. McCoy, Douglas B. Adolf, Solute mobility and packing fraction: A new look at the Doolittle equation for the polymer glass transition Journal of Chemical Physics. ,vol. 119, pp. 9269- 9273 ,(2003) , 10.1063/1.1615231
J Baschnagel, F Varnik, Computer simulations of supercooled polymer melts in the bulk and in confined geometry Journal of Physics: Condensed Matter. ,vol. 17, ,(2005) , 10.1088/0953-8984/17/32/R02
W. T. Laughlin, D. R. Uhlmann, Viscous flow in simple organic liquids The Journal of Physical Chemistry. ,vol. 76, pp. 2317- 2325 ,(1972) , 10.1021/J100660A023
Arthur K. Doolittle, Studies in Newtonian Flow. III. The Dependence of the Viscosity of Liquids on Molecular Weight and Free Space (in Homologous Series) Journal of Applied Physics. ,vol. 23, pp. 236- 239 ,(1952) , 10.1063/1.1702182
H. Ertl, F. A. L. Dullien, Hildebrand's equations for viscosity and diffusivity The Journal of Physical Chemistry. ,vol. 77, pp. 3007- 3011 ,(1973) , 10.1021/J100643A016
A. A. K. Al-Mahdi, A. R. Ubbelohde, Viscous flow in melts of “rigid anisotropic” molecules Trans. Faraday Soc.. ,vol. 51, pp. 361- 368 ,(1955) , 10.1039/TF9555100361
Arthur K. Doolittle, Dortha B. Doolittle, Studies in Newtonian Flow. V. Further Verification of the Free‐Space Viscosity Equation Journal of Applied Physics. ,vol. 28, pp. 901- 905 ,(1957) , 10.1063/1.1722884