Restrictions in model reduction for polymer chain models in Dissipative Particle Dynamics

Procedia Computer Science

Volumn 29, Issue , 2014, Pages 728-739

  Moreno, Nicolas ^a   Nunes, Suzana ^a   Calo, Victor M ^a  

^a KING ABDULLAH UNIVERSITY OF SCIENCE AND TECHNOLOGY   (Saudi Arabia)

Author keywords

Chain conformation; Coarse graining; Dissipative Particle Dynamics; Polymer solutions

Indexed keywords

CHAINS; DISTRIBUTION FUNCTIONS; DYNAMICS; NANOCOMPOSITES; POLYMER SOLUTIONS;

CHAIN CONFORMATIONS; CHARACTERISTIC SHAPES; COARSE GRAINING; DISSIPATIVE PARTICLE DYNAMICS; HIGH MOLECULAR WEIGHT; LINEAR POLYMERS; RADIAL DISTRIBUTION FUNCTIONS; SYSTEM PROPERTY;

COPOLYMERS;

EID: 84902774952     PISSN: 18770509     EISSN: None     Source Type: Conference Proceeding    
DOI: 10.1016/j.procs.2014.05.065     Document Type: Conference Paper

References (30)

1. Robert Rudd and Jeremy Broughton. Coarse-grained molecular dynamics and the atomic limit of finite elements. Physical Review B, 58(10):R5893-R5896, September 1998.
2. P. J. Hoogerbrugge and J. M. V. A. Koelman. Simulating Microscopic Hydrodynamic Phenomena with Dissipative Particle Dynamics . Europhysics Letters (EPL), 19(3):155-160, 1992.
3. Mikio Yamanoi, Oliver Pozo, and Joao M Maia. Linear and non-linear dynamics of entangled linear polymer melts by modified tunable coarse-grained level dissipative particle dynamics. The Journal of chemical physics, 135(4):044904, July 2011.
4. I. Pagonabarraga and D. Frenkel. Dissipative particle dynamics for interacting systems. The Journal of Chemical Physics, 115(11):5015, 2001.
5. Robert D. Groot and Timothy J. Madden. Dynamic simulation of diblock copolymer microphase separation. The Journal of Chemical Physics, 108(20):8713, 1998.
6. Maddalena Venturoli, Maria Maddalena, and Marieke Kranenburg. Mesoscopic models of biological membranes. Physics Reports, 437:1-54, 2006.
7. Pep Espanol. Handbook of computational materials. In Polymer, chapter 8.6 dissip, pages 2503- 2512. 2005.
8. Julian C Shillcock. Spontaneous vesicle self-assembly: A mesoscopic view of membrane dynamics. Langmuir : The ACS journal of surfaces and colloids, 28(1):541-7, January 2012.
9. Marka Horsch, Zhenli Zhang, Christopher R Iacovella, and Sharon C Glotzer. Hydrodynamics and microphase ordering in block copolymers: Are hydrodynamics required for ordered phases with periodicity in more than one dimension? The Journal of chemical physics, 121(22):11455-62, December 2004.
10. Debora Salomon Marques, Ulla Vainio, Nicolas Moreno Chaparro, Victor Manuel Calo, Ali Reza Bezahd, Jed W. Pitera, Klaus-Viktor Peinemann, and Suzana P. Nunes. Self-assembly in casting solutions of block copolymer membranes. Soft Matter, 9(23):5557, May 2013.
11. Dmitrya Fedosov, George Em Karniadakis, and Bruce Caswell. Dissipative particle dynamics simulation of depletion layer and polymer migration in micro- And nanochannels for dilute polymer solutions. The Journal of chemical physics, 128(14):144903, April 2008.
12. Wenxiao Pan, Dmitry A Fedosov, Bruce Caswell, and George Em Karniadakis. Predicting dynamics and rheology of blood flow: A comparative study of multiscale and low-dimensional models of red blood cells. Microvascular Research, 82(2):163-170, 2011.
13. R D Groot and K L Rabone. Mesoscopic simulation of cell membrane damage, morphology change and rupture by nonionic surfactants. Biophysical journal, 81(2):725-36, August 2001.
14. Sergey Yuryevich Tromov. Thermodynamic consistency in dissipative particle dynamics simulations of strongly nonideal liquids and liquid mixtures. Ph.d., Technische Universiteit Eindhoven, 2003.
15. Robert D Groot and Patrick B Warren. Dissipative particle dynamics: Bridging the gap between atomistic and mesoscopic simulation. Journal Chem. Phys., 107(11):4423-4435, 1997.
16. J. a. Backer, C. P. Lowe, H. C. J. Hoefsloot, and P. D. Iedema. Combined length scales in dissipative particle dynamics. The Journal of Chemical Physics, 123(11):114905, 2005.
17. Rudolf M Fuchslin, Harold Fellermann, Anders Eriksson, and Hans-Joachim Ziock. Coarse graining and scaling in dissipative particle dynamics. The Journal of chemical physics, 130(21):214102, June 2009.
18. Justin R Spaeth, Todd Dale, Ioannis G Kevrekidis, and Athanassios Z Panagiotopoulos. Coarse- Graining of Chain Models in Dissipative Particle Dynamics Simulations.Society, pages 69-77, 2011.
19. Pep Espanol and Patrick B Warren. Statistical Mechanics of Dissipative Particle Dynamics . Europhysics Letters (EPL), 30(4):191-196, 1995.
20. Vasileios Symeonidis, George Em Karniadakis, and Bruce Caswell. Dissipative Particle Dynamics Simulations of Polymer Chains: Scaling Laws and Shearing Response Compared to DNA Experiments. Physical Review Letters, 95(7):076001, August 2005.
21. C A Marsh. Static and dynamic properties of dissipative particle dynamics. Physical Review E, 56(2):1676-1691, 1997.
22. Steve Plimpton. Fast Parallel Algorithms for Short-Range Molecular Dynamics. Journal of Computational Physics, 117(1):1-19, March 1995.
23. Nicolas Moreno, Suzana P. Nunes, and Victor M. Calo. Geometrically- Consistent Model Reduction of Polymer Chains in Solution. Aplication to Dissipative Particle Dynamics Simulations: Model Description. In prepara, 2014.
24. CW Schlijper, AG Hoogerbrugge, PJ Manke. with the dissipative particle dynamics method. Polymer, 39(3):567-579, 1995.
25. CW. Schlijper, AG Hoogerbrugge, PJ Manke. Computer simulation of dilute polymersolutions with the dissipative particle dynamics method. Journal of Rheology, 39(3):567, May 1995.
26. Y. Kong, C. W. Manke, W. G. Madden, and A. G. Schlijper. Effect of solvent quality on the conformation and relaxation of polymers via dissipative particle dynamics. The Journal of Chemical Physics, 107(2):592, July 1997.
27. N. A Spenley. Scaling laws for polymers in dissipative particle dynamics. Europhysics Letters (EPL), 49(4):534-540, February 2000.
28. Michael Rubinstein and Ralph H. Colby. Polymer Physics. Oxford University Press, 1st edition, 2003.
29. J. M. Ilnytskyi and Yu. Holovatch. How does the scaling for the polymer chain in the dissipative particle dynamics hold? December 2007.
30. Kan Yang, Aleksey Vishnyakov, and Alexander V Neimark. Polymer translocation through a nanopore: DPD study. The journal of physical chemistry B, 117(13):3648-58, April 2013.