Molecular dynamics investigation of the thermo-responsive polymer poly(N-isopropylacrylamide)

Macromolecular Theory and Simulations

Volumn 21, Issue 2, 2012, Pages 106-112

  Alaghemandi, Mohammad ^a   Spohr, Eckhard ^a,b  

^a UNIVERSITY OF DUISBURG ESSEN   (Germany)

^b Center for Computational Sciences and Simulations (CCSS)   (Germany)

Author keywords

hydrogels; molecular dynamics; phase behavior; poly(N isopropylacrylamide); thermo responsive

Indexed keywords

CONFORMATIONAL CHANGE; CRITICAL NUMBERS; FORCE FIELDS; LOWER CRITICAL SOLUTION TEMPERATURE; MD SIMULATION; MODEL SYSTEM; MOLECULAR DYNAMICS SIMULATIONS; MONOMER UNITS; N-ISOPROPYLACRYLAMIDES; POLYMER CHAINS; SIMULATED SYSTEM; THERMO-RESPONSIVE; THERMORESPONSIVE POLYMER; TIME-SCALES;

ACRYLIC MONOMERS; CHAINS; HYDROGELS; PHASE BEHAVIOR;

MOLECULAR DYNAMICS;

EID: 84856745391     PISSN: 10221344     EISSN: 15213919     Source Type: Journal    
DOI: 10.1002/mats.201100071     Document Type: Article

References (20)

1. L. Dai, Intelligent Macromolecules for Smart Devices, Springer, Heidelberg 2004, Chapter 3 p. 81.
2. M. Heskins, J. E. Guillet, J. Macromol. Sci., Part A: Pure Appl. Chem. 1968, 2, 1441.
3. M. G. Schild, Prog. Polym. Sci. 1992, 17, 163.
4. F. M. Winnik, M. F. Ottaviani, S. H. Bossman, W. S. Pan, M. Garciagaribay, N. J. Turro, J Phys. Chem. 1993, 97, 12998.
5. E. I. Tiktopulo, V. N. Uversky, V. B. Lushchik, S. I. Klenin, V. E. Bychkova, O. B. Ptitsyn, Macromolecules 1995, 28, 7519.
6. C. Wu, S. Q. Zhou, Macromolecules 1997, 30, 574.
7. H. Senff, W. Richtering, Colloid Polym. Sci. 2000, 278, 830.
8. Q. Yang, N. Adrus, F. Tomicki, M. Ulbricht, J. Mater. Chem. 2011, 21, 2783.
9. G. Longhi, F. Lebon, S. Abbate, S. L. Fornili, Chem. Phys. Lett. 2004, 386, 123.
10. F. Gangemi, G. Longhi, S. Abbate, F. Lebon, R. Cordone, G. P. Ghilardi, S. L. Fornili, J Phys. Chem. B 2008, 112, 11896.
11. S. Deshmukh, D. A. Mooney, T. McDermott, S. Kulkarni, J. M. D. MacElroy, Soft Matter 2009, 5, 1514.
12. J. Walter, V. Ermatchkov, J. Vrabec, H. Hasse, Fluid Phase Equilib. 2010, 296, 164.
13. H. Du, R. Wickramasinghe, X. Qian, J Phys. Chem. B 2010, 114, 16594.
14. R. Pelton, J. Colloid Interface Sci. 2010, 348, 673.
15. S. J. Plimpton, J. Comput. Phys. 1995, 117, 1.
16. W. L. Jorgensen, J. Tirado-Rives, J. Am. Chem. Soc. 1988, 110, 1657.
17. M. P. Allen, T. J. Tildesley, Computer Simulation of Liquids, Clarendon Press, Oxford, UK 1987.
18. J. P. Ryckaert, G. Ciccotti, H. J. C. Berendsen, J. Comput. Phys. 1977, 23, 327.
19. B. N. Conner, C. Yoon, J. L. Dickerson, R. E. Dickerson, J. Mol. Biol. 1984, 174, 663.
20. I. Teraoka, " Polymer Solutions: An Introduction to Physical Properties ", Wiley-Interscience, New York 2002.