Prediction of polymer mixture compatibility by Monte Carlo simulation of intermolecular binary interactions

Polymer

Volumn 50, Issue 15, 2009, Pages 3871-3876

  Ahmadi, Amirhossein ^a   Freire, Juan J ^a  

^a UNIVERSIDAD NACIONAL DE EDUCACIÓN A DISTANCIA   (Spain)

Author keywords

Binary interactions; Blends; Compatibility

Indexed keywords

BLENDING; INTELLIGENT SYSTEMS; MIXTURES; MOLECULES; NEUTRON SCATTERING;

ATOMISTIC REPRESENTATION; BINARY INTERACTIONS; COMPARISON WITH A STANDARD; COMPATIBILITY; COORDINATION NUMBER; FLORY-HUGGINS PARAMETER; INTERMOLECULAR ENERGY; QUANTITATIVE AGREEMENT;

MONTE CARLO METHODS;

DIELECTRIC PROPERTY; MOLECULAR STRUCTURE; POLYMER PROPERTY; SIMULATION;

EID: 67650093658     PISSN: 00323861     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.polymer.2009.06.010     Document Type: Article

References (20)

1. In: Paul D.R., and Bucknall C.D. (Eds). Polymer blends (1999), Wiley, New York
2. de Gennes P.-G. Scaling concepts in polymer physics (1979), Cornell University, Ithaca, NY
3. Heine D., Grest G.S., and Curro J.G. Adv Polym Sci 173 (2005) 209
4. Heine D., Wu D.T., Curro J.G., and Grest G.S. J Chem Phys 118 (2003) 914
5. Jaramillo E., Wu D.T., Grest G.S., and Curro J.G. J Chem Phys 120 (2004) 8883
6. Ahmadi A., and Freire J.J. Mol Simul 34 (2008) 1253
7. Fang C.F., Olafson B.D., Blanco M., and Hsu S.L. Macromolecules 25 (1992) 3667
8. Materials Studio 4.4, Accelrys Software Inc. San Diego, CA, 2008.
9. Balsara N.P., and Eitouni H.B. In: Mark J.E. (Ed). Physical properties of polymers handbook. 2nd ed. (2007), AIP, New York 339-356
10. Rodríguez A.L., Vega C., Freire J.J., and Lago S. Mol Phys 73 (1991) 691
11. Poncela A., Rubio A.M., and Freire J.J. Mol Phys 91 (1997) 189
12. Rubio A.M., and Freire J.J. J Chem Phys 106 (1997) 5638
13. Rubio A.M., and Freire J.J. Comput Theor Polym Sci 10 (2000) 89
14. Frenkel D., and Smith B. Understanding molecular simulations (1996), Academic, San Diego
15. Sun H., Mumby S.J., Maple J.R., and Hagler A.T. J Am Chem Soc 116 (1994) 2978
16. Mazur J., and Jeringan R.L. Biopolymers 31 (1991) 1614
17. Vasilyev V. J Comput Chem 23 (2002) 1254
18. Horta A., and Freire J.J. Polymer 45 (2004) 1275
19. Rappe A.K., and Goddard W.A. J Chem Phys 95 (1991) 3358
20. Suvorova A.I., Hassanova A.H., and Tujkova I.S. Polym Int 49 (2000) 1014