A computer model of molecular arrangement in a n‐paraffinic liquid
作者： Michele Vacatello , Gustavo Avitabile , Paolo Corradini , Angela Tuzi
DOI: 10.1063/1.439853
关键词:
摘要: A computer model of a bulk liquid polymer was built to investigate the problem local order. The is made C30 n‐alkane molecules; it not lattice model, but allows for continuous variability torsion angles and interchain distances, subject realistic intra‐ intermolecular potentials. Experimental x‐ray scattering curves radial distribution functions are well reproduced. Calculated properties like end‐to‐end angles, functions, chain direction correlation parameters, all indicate random coil conformation no tendency form bundles parallel chains.
scitation.org
harvard.edu
aip.org
core.ac.uk 
sci-hub.se 参考文章(19)
Yuri K. Ovchinnikov, Eugenie M. Antipov, Galina S. Markova, Nikolie F. Bakeev, Comparative investigation of short‐range order in unbranched alkanes and polyethylene Macromolecular Chemistry and Physics. ,vol. 177, pp. 1567- 1581 ,(1976) , 10.1002/MACP.1976.021770524
Paul J. Flory, Principles of polymer chemistry ,(1953)
G.W. Longman, G.D. Wignall, R.P. Sheldon, Radial distribution functions from molten polyethylene by X-ray diffraction☆ Polymer. ,vol. 17, pp. 485- 487 ,(1976) , 10.1016/0032-3861(76)90127-0
William J. Taylor, Average Length and Radius of Normal Paraffln Hydrocarbon Molecules The Journal of Chemical Physics. ,vol. 16, pp. 257- 267 ,(1948) , 10.1063/1.1746864
Paul. J. Flory, M. Volkenstein, Statistical mechanics of chain molecules ,(1969)
Richard E. Robertson, Polymer Order and Polymer Density The Journal of Physical Chemistry. ,vol. 69, pp. 1575- 1578 ,(1965) , 10.1021/J100889A021
W. Pechhold, E. Liska, H. P. Grossmann, P. C. Hagele, ON PRESENT THEORIES OF THE CONDENSED POLYMER STATE Pure and Applied Chemistry. ,vol. 46, pp. 127- 134 ,(1976) , 10.1351/PAC197646020127
F. T. Wall, W. A. Seitz, Self-avoiding random walks at finite concentrations: The bulk phase limit Proceedings of the National Academy of Sciences of the United States of America. ,vol. 76, pp. 8- 9 ,(1979) , 10.1073/PNAS.76.1.8
I. Voigt−Martin, F. C. Mijlhoff, Interatomic distance functions obtained by electron diffraction from the polyethylene melt: Possible errors in the interpretation of radial distribution functions Journal of Applied Physics. ,vol. 46, pp. 1165- 1170 ,(1975) , 10.1063/1.322218
I. Voigt‐Martin, F. C. Mijlhoff, Electron diffraction radial distribution study of liquid polyethylene Journal of Applied Physics. ,vol. 47, pp. 3942- 3947 ,(1976) , 10.1063/1.323214