Relationship between polymer chain conformation and phase boundaries in a supercritical fluid

Journal of Chemical Physics

Volumn 107, Issue 24, 1997, Pages 10782-10792

  Luna Bárcenas, Gabriel ^a   Meredith, J Carson ^a   Sanchez, Isaac C ^a   Johnston, Keith P ^a   Gromov, Dmitry G ^b   De Pablo, Juan J ^b  

^a The University of Texas at Austin   (United States)

^b University of Wisconsin Madison   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPOSITION; COMPUTER SIMULATION; CONFORMATIONS; ELECTRONIC DENSITY OF STATES; MATHEMATICAL MODELS; MONTE CARLO METHODS; ORGANIC POLYMERS; PHASE DIAGRAMS; PHASE EQUILIBRIA; PHASE TRANSITIONS; SUPERCRITICAL FLUID EXTRACTION; THERMODYNAMIC STABILITY;

COIL TO GLOBULE TRANSITION TEMPERATURE; EXPANDED GIBBS ENSEMBLE METHOD; LENNARD-JONES SEGMENTS; PHASE BOUNDARIES; UPPER CRITICAL SOLUTION TEMPERATURE;

MOLECULAR DYNAMICS;

EID: 0031365926     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.474194     Document Type: Article

References (49)

1. C. Williams, F. Brochard, and H. L. Frisch, Annu. Rev. Phys. Chem. 32, 433 (1981).
2. W. H. Stockmayer, Macromol. Chem. 35, 54 (1960).
3. I. C. Sanchez and D. J. Lohse, Macromolecules 14, 131 (1981).
4. A. Milchev, W. Paul, and K. Binder, J. Chem. Phys. 99, 4786 (1993).
5. A. M. Rubio, J. J. Freire, J. H. R. Clarke, C. W. Yong, and M. Bishop, J. Chem. Phys. 102, 2277 (1995).
6. R. Perzynski, M. Delsanti, and M. Adam, J. Phys. (Paris) 45, 1765 (1984).
7. I. C. Sanchez, Encyclopedia of Physical Science and Technology (Academic, New York, 1992), Vol. XIII, p. 153.
8. B. E. Eichinger and P. J. Flory, Trans. Faraday Soc. 64, 2035 (1968).
9. I. C. Sanchez and R. H. Lacombe, Macromolecules 11, 1145 (1978).
10. I. C. Sanchez, Macromolecules 24, 908 (1991).
11. P. J. Flory, Principles of Polymer Chemistry (Cornell University Press, Ithaca, 1953).
12. I. C. Sanchez, Macromolecules 12, 980 (1979).
13. M. A. Meilchen, B. M. Hasch, and M. A. McHugh, Macromolecules 24, 4974 (1991).
14. S. Mawson, K. P. Johnston, J. R. Combes, and J. M. DeSimone, Macromolecules 28, 3182 (1995).
15. E. Kiran and W. Zhuang, Polymer 33, 5459 (1992).
16. B. Folie and M. Radosz, Ind. Eng. Chem. Res. 34, 1501 (1995).
17. A. V. Yazdi, C. Lepilleur, E. J. Singley, L. W. F. A. Adamsky, R. M. Enick, and E. J. Beckman, Fluid Phase Equilibria 117, 297 (1996).
18. K. P. Johnston, K. L. Harrison, M. J. Clarke, S. M. Howdle, M. P. Heitz, F. V. Bright, C. Carlier, and T. W. Randolph, Science 271. 624 (1996).
19. K. A. Bartscherer, H. Renon, and M. Minier, Fluid Phase Equilibria 107, 93 (1995).
20. J. B. McClain, D. Londono, J. R. Combes, T. J. Romack, D. A. Canelas. D. E. Betts, G. D. Wignall, E. T. Samulski, and J. M. DeSimone. J. Am. Chem. Soc. 118, 917 (1996).
21. M. L. O'Neill, M. Z. Yates, K. L. Harrison, K. P. Johnston, D. A. Canelas, D. E. Betts, J. M. DeSimone, and S. P. Wilkinson, Macromolecules 30, 5050 (1997).
22. M. Z. Yates, M. L. O'Neill, K. P. Johnston, S. Webber, D. A. Canales, D. A. Betts, and J. M. DeSimone. Macromolecules 30, 5060 (1997).
23. K. Binder, Monte Carlo and Molecular Dynamics Simulations in Polymer Science (Oxford University Press. New York. 1995).
24. J. J. dePablo, M. Laso, and U. W. Suter, J. Chem. Phys. 96, 2395 (1992).
25. J. J. dePablo, M. Laso, U. W. Suter, and H. D. Cochran, Fluid Phase Equilibria 83, 323 (1993).
26. A. Z. Panagiotopoulos, Mol. Phys. 63, 527 (1988).
27. F. A. Escobedo and J. J. dePablo, Mol. Phys. 87, 347 (1996).
28. F. A. Escobedo and J. J. dePablo, J. Chem. Phys. 105, 4391 (1996).
29. G. Luna-Barcenas, D. G. Gromov, J. C. Meredith, I. C. Sanchez, J. J. dePablo, and K. P. Johnston, Chem. Phys. Lett, (in press).
30. G. Luna-Bárcenas, G. E. Bennett, I. C. Sanchez, and K. P. Johnston, J. Chem. Phys. 104, 9971 (1996).
31. J. K. Johnson, J. A. Zollweg, and K. E. Gubbins, Mol. Phys. 78, 591 (1993).
32. B. Smit, J. Chem. Phys. 96, 8639 (1992).
33. D. G. Gromov, Ph.D. dissertation. University of Wisconsin, 1997.
34. E. Leontidis, J. J. dePablo, M. Laso, and U. W. Suter, Advances in Polymer Science (Springer, New York, 1994).
35. S. K. Kumar, I. Szleeifer, and A. Z. Panagiotopoulos, Phys. Rev. Lett. 66, 2935 (1991).
36. I. Szleifer and A. Z. Panagiotopoulos, J. Chem. Phys. 97, 6666 (1992).
37. M. Laso, J. J. dePablo, and U. W. Suter, J. Chem. Phys. 97, 2817 (1992).
38. S.-T. Sun, I. Nishio, G. Swislow, and T. Tanaka, J. Chem. Phys. 73, 5971 (1980).
39. F. A. Escobedo and J. J. dePablo, Mol. Phys. 89, 1733 (1996).
40. J. K. C. Suen, F. A. Escobedo, and J. J. dePablo (submitted).
41. J. desCloizeaux and G. Jannink, Polymers in Solution: Their Modeling and Structure (Clarendon, Oxford. 1990).
42. I. C. Sanchez, "Statistical properties of some model macromolecules," Dissertation. University of Delaware. 1969.
43. C. Domb and F. T. Hioe, J. Chem. Phys. 51, 1920 (1969).
44. T. A. Witten and L. Schafer, J. Phys. A 11, 1843 (1985).
45. M. Rawiso, R. Duplessix, and C. Picot, Macromolecules 20, 630 (1987).
46. G. S. Grest and M. Murat, Macromolecules 26, 3108 (1993).
47. I. C. Sanchez, Polymer Compatibility and Incompatibility: Principles and Practices, MMI Symposium Series, edited by K. Sole (MMI, New York, 1982), Vol. 2, p. 59.
48. D. G. Peck and K. P. Johnston, Macromolecules 26, 1537 (1993).
49. J. C. Meredith and K. P. Johnston (in preparation).