Effects of temperature and concentration on the structure of ethylene oxide-propylene oxide-ethylene oxide triblock copolymer (Pluronic P65) in aqueous solution: A molecular dynamics simulation study

Molecular Simulation

Volumn 37, Issue 12, 2011, Pages 1014-1022

  Dong, Shijin ^a   Cui, Xuejun ^a   Zhong, Shuangling ^b   Gaoa, Yan ^a   Wang, Hongyan ^a  

^a JILIN UNIVERSITY   (China)

^b JILIN AGRICULTURAL UNIVERSITY   (China)

Author keywords

Critical micellar temperature; Flory Huggins parameter; Hydrogen bond; Molecular dynamics; Pluronic P65

Indexed keywords

ATOMISTIC MOLECULAR DYNAMICS SIMULATIONS; COMPOSITION RANGES; CRITICAL MICELLAR TEMPERATURES; EFFECTS OF TEMPERATURE; ETHYLENE OXIDES; EXPERIMENTAL DATA; FLORY-HUGGINS INTERACTION PARAMETER; FLORY-HUGGINS PARAMETER; INTERMOLECULAR HYDROGEN BONDS; MOLECULAR DYNAMICS SIMULATIONS; MOLECULAR MOBILITY; PLURONICS; POLYMERIC SURFACTANT; PROPYLENE OXIDE; SOLUTION CONCENTRATION; TEMPERATURE RANGE; TRIBLOCKS; WATER-WATER; WEIGHT FRACTIONS;

BLOCK COPOLYMERS; DYNAMICS; ETHYLENE; MOLECULAR DYNAMICS; PROPYLENE; SOLUTIONS; SURFACE ACTIVE AGENTS; TEMPERATURE;

HYDROGEN BONDS;

EID: 81255172120     PISSN: 08927022     EISSN: 10290435     Source Type: Journal    
DOI: 10.1080/08927022.2011.582107     Document Type: Article

References (32)

1. J.S. Pedersen and M.C. Gerstenberg, The structure ofP85 Pluronic block copolymer micelles determined by small-angle neutron scattering, Colloid Surf. A 213 (1996), pp. 175-187.
2. M. Almgren, W. Brown, and S. Hvidt, Self-aggregation and phase behavior of poly(ethylene oxide)-poly(propylene oxide)-poly(ethylene oxide) block copolymers in aqueous solution, Colloid Polym. Sci. 273 (1995), pp. 2-15.
3. X.Q. Zhang, S.L. Yuan, and J. Wu, Mesoscopic simulation onphase behaviorofternary copolymeric solution in the absence andpresent ofshear, Macromolecules 39 (2006), pp. 6631-6642. (Pubitemid 44555108)
4. G. Wanka, H. Hoffmann, and W. Ulbricht, Phase diagrams and aggregation behavior ofpoly(oxyethy1ene)-poly(oxypropylene)- poly(oxy ethylene) triblock copolymers in aqueous solutions, Macromolecules 27 (1994), pp. 4145-4159.
5. S.H. Yang, S.L. Yuan, X.Q. Zhang, and Y.J. Yan, Phase behaviorof tri-block copolymers in solution: Mesoscopic simulation study, Collids Surf. A 332 (2008), pp. 87-96.
6. G. Wanka, H. Hoffmann, and W. Ulbricht, Phase diagrams and aggregation behavior of poly(oxyethylene) poly(oxypropylene) poly(oxyethylene) triblock copolymers, Colloid Polym. Sci. 268 (1990), pp. 101-117.
7. M. Varshney, T.E. Morey, D.O. Shah, J.A. Flint, B.M. Moudgil, C.N. Seubert, M. Donn, and D.M. Dennis, Pluronic microemulsions as nanoreservoirs for extraction ofbupivacainefrom normal saline, J. Am. Chem. Soc. 126 (2004), pp. 5108-5112. (Pubitemid 38509466)
8. P. Bahadur and G. Riess, Block copolymers: A special class of surfactants, Tenside Surf. Deterg. 28 (1991), pp. 173-179.
9. P. Alexandridis, Amphiphilic copolymers and their applications, Curr. Opin. Colloid Interface Sci. 1 (1996), pp. 490-511.
10. K. Suzuki, Y. Saito, Y. Tokuoka, M. Abe, and T. Sato, Poly (ethylene oxide)/poly (propylene oxide)/poly (ethylene oxide) triblock copolymer as a sustained-release carrier for perfume compounds, J. Am. Oil Chem. Soc. 74 (1997), pp. 55-59. (Pubitemid 127551879)
11. B. Chu, Structure and dynamics of block copolymer colloids, Langmuir 11 (1995), pp. 414-421.
12. Y.Z. Wang, Y.J. Li, and Q.S. Wang, Pharmacokinetics and biodistribution ofpolymeric micelles of paclitaxel with Pluronic P105/poly (caprolactone) copolymers, Pharmazie 6 (2008), pp. 446-452.
13. M.L. Adams, A. Lacasanifar, and G.S. Kwon, Amphiphilic block copolymers for drug delivery, J. Pharm. Sci. 92 (2003), pp. 1343-1344.
14. B. Cudney and S. Patel, Crystallization ofmacromolecules in silica gels, Acta Crystallogr. 50 (1994), pp. 479-483.
15. T. Sakai and P. Alexandridis, Size- and shape-controlled synthesis of colloidal gold through autoreduction of the auric cation by poly(ethylene oxide)-poly(propylene oxide) block copolymers in aqueous solutions at ambient conditions, Nanotechnology 16 (2005), pp. 344-353.
16. P. Alexandridis, Poly(ethylene oxide)/poly(propylene oxide) block copolymersurfactants, Curr. Opin. Colloid Interface Sci. 2 (1997), pp. 478-489.
17. J.P. Mata, P.R. Majhi, C. Guo, H.Z. Liu, and P. Bahadur, Concentration, temperature, and salt-induced micellization of a triblock copolymer Pluronic L64 in aqueous media, J. Colloid Interface Sci. 292 (2005), pp. 548-556. (Pubitemid 41607695)
18. L. Guo, R.H. Colby, and P. Thiagarajan, Temperature and hydrophobic alcohol-induced structural changes of Pluronics micelles, Physica B 385 (2006), pp. 685-687. (Pubitemid 44809774)
19. M. Bohorquez, C. Koch, T. Trygstad, and N. Pandit, A study of the temperature-dependent micellization of Pluronic F127, J. Colloid Interface Sci. 216 (1999), pp. 34-40. (Pubitemid 29394507)
20. D. Bedrov, G.D. Smith, and J.Y. Yoon, Structure and interactions in micellar solutions: Molecular simulations of Pluronic L64 aqueous solutions, Langmuir 23 (2007), pp. 12032-12041. (Pubitemid 350197368)
21. S.H. Yang, S.L. Yuan, X.Q. Zhang, and Y.J. Yan, Phase behaviorof tri-block copolymers in solution: Mesoscopic simulation study, Colloid Surf. A 322 (2008), pp. 87-96.
22. Y.M. Li, G.Y. Xu, Y.Y. Zhu, Y.J. Wang, and H.J. Gong, Aggregation behavior of Pluronic copolymer in the presence of surfactant: Mesoscopic simulation, Colloid Surf. A 334 (2009), pp. 124-130.
23. 13(Pluronic L64)/water/p-xylene system using MesoDyn, J. Phys. Chem. B 106 (2002), pp. 11397-11403. (Pubitemid 35313781)
24. J.S. Bermejo and C.M. Ugarte, Influence of water content on structure and mobility of polyvinyl alcohol: A molecular dynamics simulation, J. Chem. Phys. 129 (2008), pp. 154907-154916.
25. S.H. Choi, S.H. Lee, and T.G. Park, Temperature-sensitive Pluronic/poly(ethylenimine) nanocapsules for thermally triggered disruption of intracellular endosomal compartment, Biomacromo-lecules 7 (2006), pp. 1864-1870. (Pubitemid 43985108)
26. R. Ganguly, N. Choudhury, V.K. Aswal, and PA. Hassan, Pluronic L64 micelles near cloud point: Investigating the role of micellargrowth and interaction in critical concentration fluctuation andpercolation, J. Phys. Chem. B 113 (2009), pp. 668-675.
27. K. Patel, B. Bgaratiya, Y. Kadam, and P. Bahadur, Micellization and clouding behavior of EO-PO block copolymer in aqueous salt solutions, J. Surfact. Deterg. 13 (2010), pp. 89-95.
28. T. Steiner, The hydrogen bond in the solid state, Angew. Chem. Int. Edit. 41 (2002), pp. 48-76. (Pubitemid 34081196)
29. R. Ganguly, V.K. Aswal, PA. Hassan, I.K. Gopalakrishnan, and S.K. Kulshreshtha, Effect of SDS on the self-assembly behavior of the PEO PPO PEO triblock copolymer, J. Phys. Chem. B 110 (2006), pp. 9843-9849.
30. T. Tonsing and C. Oldiges, Molecular dynamic simulation study on structure of water in crosslinked poly(N-isopropylacrylamide) hydrogels, Phys. Chem. Chem. Phys. 3 (2001), pp. 5542-5549.
31. C.F. Wu and W.J. Xu, Atomistic simulation study ofabsorbed water influence on structure and properties of crosslinked epoxy resin, Polymer 48 (2007), pp. 5440-5448.
32. G.D. Smith, D. Bedrov, and O. Borodin, Molecular dynamics simulation study of hydrogen bonding in aqueous poly(ethylene oxide) solutions, Phys. Rev. Lett. 85 (2000), pp. 5583-5586. (Pubitemid 32090270)