The computer simulation of conformations of macromolecules by Monte Carlo calculation of their geometric characteristics has been performed. Radial density distribution functions within the coil were determined for macromolecular chains of different lengths, containing from 100 to 10,000 segments. Influence of the quantity of intermolecular contacts and interaction energy segments of the polymer with solvent molecules on the probability of the various macromolecular structures were investigated. Obtained approximation relation linking the radial distribution function with energy of intermolecular interaction.
макромолекулярный клубок, Монте-Карло метод, macromolecular coil, Monte Carlo method
1. Tager A.A. Fiziko-himiya polimerov, M.: Nauchnyy mir, 2007.
2. Grosberg A.Yu. // UFN, T. 167, № 2. 1997. s. 129.
3. Pokrovskiy V.N. // UFN, T. 164, № 4. 1994. s. 397.
4. Alekseenko T.V. Diss.. kand. him. nauk. M.: IFH RAN. 1995.
5. Bondarev I.N. Diss… kand. him. nauk. M.: IFH RAN, 1999.
6. Gerasimov V.K., Chalyh A.E. // Vysokomolek. soed. B 2001. T. 43. № 11. S. 2015-2019.
7. Dashevskiy V.G. Konformacionnyy analiz makromole-kul. M.: Nauka, 1987.
8. Hohlov A.R., Kuchanov S.I. Lekcii po fizicheskoy himii polimerov. M.: Mir, 2000.
9. Binder K., Metody Monte-Karlo v statisticheskoy fizike. M.: Mir, 1982.
10. Metropolis N., Rosenbluth A.W., Rosenbluth M.N., Teller A.H., Teller E. // J. Chem. Phys. 1953. V. 21. N 6. P. 1087-1092.
11. Hastings W.K. // Biometrika 1970. V. 57. N 1. P. 97-109.
12. Gerasimov V.K. Diss… kand. him. nauk. IFH RAN, M.: 1996.
13. Smirnova N.A. Metody statisticheskoy termodinami-ki v fizicheskoy himii. M.: Vyssh. shkola, 1982.
14. Semchikov Yu.D. Vysokomolekulyarnye soedineniya, M. - NN: Akademiya, 2003.
15. De Zhen P. Idei skeylinga v fizike polimerov. M.: Mir, 1982.
16. Alhimov. V.I. // - UFN, t.164, №6. 1994. s. 562.