Mesoscale modelling

Molecular Simulation

Volumn 26, Issue 1, 2001, Pages 51-72

  Nicolaides, David ^a  

^a Molecular Simulations Ltd   (United Kingdom)

Author keywords

Phase separation; Polymers; Soft condensed matter

Indexed keywords

EID: 0035040068     PISSN: 08927022     EISSN: None     Source Type: Journal    
DOI: 10.1080/08927020108024200     Document Type: Article

References (23)

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2. Fraaije, J. G. E. M., van Vlimmeren, B. A. C., Maurits, N. M., Postma, M., Evers, O. A., Hoffman, C., Altevogt, P. and Goldbeck-Wood, G. (1997). "The Dynamic Mean-Field Density Functional Method and its Application to the Mesoscopic Dynamics of Quenched Block Copolymer Melts", J. Chem. Phys., 106, 4260.
3. Maurits, N. M., Zvelindovsky, A. V. and Fraaije, J. G. E. M. "Equation of State and Stress Tensor in Inhomogeneous Compressible Copolymer Melts: Dynamic Mean-Field Density Functional Approach" (submitted to J. Chem. Phys.).
4. Maurits, N. M. and Fraaije, J. G. E. M. (1997). "Mesoscopic Dynamics of Copolymer Melts: from Density Dynamics to External Potential Dynamics using Nonlocal Kinetic Coupling", J. Chem. Phys., 107, 5879-5889.
5. Hoogerbrugge, P. J. and Koelman, J. M. V. A. (1992). "Simulating Microscopic Hydrodynamic Phenomena with Dissipative Particle Dynamics", Europhysics Letters, 19, 155-160.
6. Espanol, P. and Warren, P. (1995). "Statistical Mechanics of Dissipative Particle Dynamics", Europhysics Letters, 30, 191-196.
7. Groot, R. D. and Warren, P. B. (1997). "Dissipative particle dynamics: Bridging the gap between atomistic and mesoscopic simulation", J. Chem. Phys., 107, 4423-4435.
8. For an explanation, see e.g., Boyd, R. H. and Phillips, P. J. "The Science of Polymer Molecules" Cambridge University Press, (1993), ch.9.
9. 13 - Water - p-Xylene System", Macromolecules, 28, 7700.
10. van Vlimmeren, B. A. C., Maurits, N. M., Zvelindovsky, A. V., Sevink, G. J. A. and Fraaije, J. G. E. M. (1999). "Simulation of 3D Mesoscale structure formation in concentrated aqueous solution of the triblock polymer surfactants (Ethylene Oxide) 13 (Propylene Oxide) 30 (Ethylene Oxide) 13 and (Propylene Oxide) 19 (Ethylene Oxide) 33(Propylene Oxide) 19. Application of dynamic mean-field density functional theory" Macromolecules, 32, 646-656.
11. Zvelindovsky, A. V., van Vlimmeren, B. A. C., Sevink, G. J. A., Maurits, N. M. and Fraaije, J. G. E. M. "3D simulation of hexagonal phase of a specific polymer system under shear: the dynamic density functional approach", Submitted to J. Chem. Phys. (rapid communications). References 3, 10 and 11 are available in preprint form from the MesoDyn Esprit Project Web site: http://www.fwn.rug.nl/mesodyn/index.html.
12. Olaf Evers, presented at a joint MSI/IBM Seminar Series on Mesoscale Modelling, Houston, Chicago and Princeton, March 1998.
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14. Matsen, M. W. and Bates, F. S. (1996). "Unifying Weak- and Strong-Segregation Block Copolymer Theories", Macromolecules, 29, 1091-1098.
15. Zvelindovsky, A. V. personal communication.
16. Leibler, L. (1982). "Theory of Phase Equilibria in Mixtures of Copolymers and Homopolymers. 2. Interfaces near the Consolute Point", Macromolecules, 15, 1283.
17. Broseta, D. and Fredrickson, G. H. (1990). "Phase equilibria in copolymer/homopolymer ternary blends: Molecular weight effects", J. Chem. Phys., 93, 2927.
18. Bates, F. S. et al. (1997). "Polymeric Bicontinuous Microemulsions", Phys. Rev. Lett., 79, 849.
19. Boek, E. S., Coveney, P. V., Lekkerkerker, H. N. W. and van der Schoot, P. (1997). "Simulating the rheology of dense colloidal suspensions using dissipative particle dynamics", Phys. Rev. E, 55, 3124-3133.
20. Coveney, P. V. and Novik, K. (1996). "Computer simulations of domain growth and phase separation in two-dimensional binary immiscible fluids using dissipative particle dynamics", Phys. Rev. E, 54, 5134-5141.
21. Groot, R. D. and Madden, T. J. (1998). "Dynamic simulation of diblock copolymer microphase separation", J. Chem. Phys., 108, 8713.
22. Schlijper, A. G., Hoogerbrugge, P. J. and Manke, C. W. (1995). "Computer simulation of dilute polymer solutions with the dissipative particle dynamics method", J. Rheol., 39, 567-579.
23. Kong, Y., Manke, C. W., Madden, W. G. and Schlijper, A. G. (1994). "Simulation of a Confined Polymer in Solution Using the Dissipative Particle Dynamics Method", International Journal of Thermophysics, 15, 1093-1101.