메뉴 건너뛰기




Volumn 133, Issue 18, 2010, Pages

Molecular dynamics simulations of supramolecular polymer rheology

Author keywords

[No Author keywords available]

Indexed keywords

ACCEPTOR GROUPS; ASSOCIATING POLYMERS; ASSOCIATION ENERGIES; AVERAGE MOLECULAR WEIGHT; COMPUTER MODELING; EQUILIBRIUM PROPERTIES; EXPERIMENTAL OBSERVATION; LENNARD JONES; MASTER CURVE; MOLECULAR DYNAMICS SIMULATIONS; NONEQUILIBRIUM MOLECULAR DYNAMICS SIMULATION; OLIGOMER LENGTH; POWER LAW SCALINGS; POWER-LAW REGION; REDUCED VISCOSITY; REPTATION; REPULSIVE POTENTIALS; REVERSIBLE ASSOCIATIONS; RHEOLOGICAL PROPERTY; SELF-ASSEMBLED; SEMIDILUTE; SEMIDILUTE SOLUTIONS; SHEAR RATES; SHEAR THINNING; SHEAR-THINNING BEHAVIOR; SIMULATION MODEL; SUPRAMOLECULAR POLYMERS;

EID: 78449313416     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3498781     Document Type: Article
Times cited : (19)

References (47)
  • 1
    • 21744435758 scopus 로고    scopus 로고
    • (CRC Press, Boca Raton, FL). 10.1201/9781420027921
    • A. Ciferri, Supramolecular Polymers (CRC Press, Boca Raton, FL, 2005). 10.1201/9781420027921
    • (2005) Supramolecular Polymers
    • Ciferri, A.1
  • 4
    • 37649031493 scopus 로고    scopus 로고
    • PLEEE8 1063-651X,. 10.1103/PhysRevE.70.031502
    • J. Padding and E. Boek, Phys. Rev. E PLEEE8 1063-651X 70, 031502 (2004). 10.1103/PhysRevE.70.031502
    • (2004) Phys. Rev. e , vol.70 , pp. 031502
    • Padding, J.1    Boek, E.2
  • 5
    • 1642588223 scopus 로고    scopus 로고
    • MAMOBX 0024-9297,. 10.1021/ma035546v
    • J. Xu, E. A. Fogleman, and S. L. Craig, Macromolecules MAMOBX 0024-9297 37, 1863 (2004). 10.1021/ma035546v
    • (2004) Macromolecules , vol.37 , pp. 1863
    • Xu, J.1    Fogleman, E.A.2    Craig, S.L.3
  • 7
    • 2542583207 scopus 로고    scopus 로고
    • MAMOBX 0024-9297,. 10.1021/ma035405t
    • C. C. Chen and E. E. Dormidontova, Macromolecules MAMOBX 0024-9297 37, 3905 (2004). 10.1021/ma035405t
    • (2004) Macromolecules , vol.37 , pp. 3905
    • Chen, C.C.1    Dormidontova, E.E.2
  • 8
    • 34248595133 scopus 로고    scopus 로고
    • Effect of orientational specificity of complexation on the behavior of supramolecular polymers: Theory and simulation
    • DOI 10.1021/ma062146+
    • M. C. Hagy, C. C. Chen, and E. E. Dormidontova, Macromolecules MAMOBX 0024-9297 40, 3408 (2007). 10.1021/ma062146+ (Pubitemid 46750646)
    • (2007) Macromolecules , vol.40 , Issue.9 , pp. 3408-3421
    • Hagy, M.C.1    Chen, C.-C.2    Dormidontova, E.E.3
  • 9
    • 0001557223 scopus 로고    scopus 로고
    • Dynamical Monte Carlo study of equilibrium polymers: Static properties
    • DOI 10.1063/1.476623, PII S0021960698515267
    • J. Wittmer, A. Milchev, and M. Cates, J. Chem. Phys. JCPSA6 0021-9606 109, 834 (1998). 10.1063/1.476623 (Pubitemid 128678021)
    • (1998) Journal of Chemical Physics , vol.109 , Issue.2 , pp. 834-845
    • Wittmer, J.P.1    Milchev, A.2    Cates, M.E.3
  • 10
    • 33846251172 scopus 로고    scopus 로고
    • Monte Carlo simulations of end-adsorption of head-to-tail reversibly associated polymers
    • DOI 10.1021/ma061236b
    • C. C. Chen and E. E. Dormidontova, Macromolecules MAMOBX 0024-9297 39, 9528 (2006). 10.1021/ma061236b (Pubitemid 46102031)
    • (2006) Macromolecules , vol.39 , Issue.26 , pp. 9528-9538
    • Chen, C.-C.1    Dormidontova, E.E.2
  • 15
    • 0000755867 scopus 로고
    • MAMOBX 0024-9297,. 10.1021/ma00175a038
    • M. Cates, Macromolecules MAMOBX 0024-9297 20, 2289 (1987). 10.1021/ma00175a038
    • (1987) Macromolecules , vol.20 , pp. 2289
    • Cates, M.1
  • 16
    • 0000424480 scopus 로고
    • JOPQAG 0302-0738,. 10.1051/jphys:019880049090159300
    • M. Cates, J. Phys. (Paris) JOPQAG 0302-0738 49, 1593 (1988). 10.1051/jphys:019880049090159300
    • (1988) J. Phys. (Paris) , vol.49 , pp. 1593
    • Cates, M.1
  • 17
    • 0001496273 scopus 로고    scopus 로고
    • PLEEE8 1063-651X,. 10.1103/PhysRevE.53.2531
    • M. Kröger and R. Makhloufi, Phys. Rev. E PLEEE8 1063-651X 53, 2531 (1996). 10.1103/PhysRevE.53.2531
    • (1996) Phys. Rev. e , vol.53 , pp. 2531
    • Kröger, M.1    Makhloufi, R.2
  • 18
  • 19
    • 50249168786 scopus 로고    scopus 로고
    • JCPSA6 0021-9606,. 10.1063/1.2970934
    • J. Padding, E. Boek, and W. Briels, J. Chem. Phys. JCPSA6 0021-9606 129, 074903 (2008). 10.1063/1.2970934
    • (2008) J. Chem. Phys. , vol.129 , pp. 074903
    • Padding, J.1    Boek, E.2    Briels, W.3
  • 20
    • 79051469614 scopus 로고    scopus 로고
    • EULEEJ 0295-5075,. 10.1209/0295-5075/81/58002
    • C. C. Huang, H. Xu, and J. Ryckaert, Europhys. Lett. EULEEJ 0295-5075 81, 58002 (2008). 10.1209/0295-5075/81/58002
    • (2008) Europhys. Lett. , vol.81 , pp. 58002
    • Huang, C.C.1    Xu, H.2    Ryckaert, J.3
  • 21
    • 72449151246 scopus 로고    scopus 로고
    • JCPSA6 0021-9606,. 10.1063/1.3268777
    • R. S. Hoy and G. H. Fredrickson, J. Chem. Phys. JCPSA6 0021-9606 131, 224902 (2009). 10.1063/1.3268777
    • (2009) J. Chem. Phys. , vol.131 , pp. 224902
    • Hoy, R.S.1    Fredrickson, G.H.2
  • 22
    • 21744458557 scopus 로고    scopus 로고
    • Metal/ligand-induced formation of metallo-supramolecular polymers
    • DOI 10.1021/ma050369e
    • J. B. Beck, J. M. Ineman, and S. J. Rowan, Macromolecules MAMOBX 0024-9297 38, 5060 (2005). 10.1021/ma050369e (Pubitemid 40940608)
    • (2005) Macromolecules , vol.38 , Issue.12 , pp. 5060-5068
    • Beck, J.B.1    Ineman, J.M.2    Rowan, S.J.3
  • 26
    • 0012575461 scopus 로고    scopus 로고
    • EPOLCI 1618-7229
    • B. Lahn and M. Rehahn, e-Polymers EPOLCI 1618-7229 1, 1 (2002).
    • (2002) E-Polymers , vol.1 , pp. 1
    • Lahn, B.1    Rehahn, M.2
  • 28
    • 1442274913 scopus 로고    scopus 로고
    • Concentration dependence of viscometric properties of model short chain polymer solutions
    • DOI 10.1016/j.polymer.2003.12.034, PII S0032386103011844
    • T. Kairn, P. Daivis, M. Matin, and I. Snook, Polymer POLMAG 0032-3861 45, 2453 (2004). 10.1016/j.polymer.2003.12.034 (Pubitemid 38293197)
    • (2004) Polymer , vol.45 , Issue.7 , pp. 2453-2464
    • Kairn, T.1    Daivis, P.J.2    Matin, M.L.3    Snook, I.K.4
  • 29
    • 78449281689 scopus 로고    scopus 로고
    • See supplementary material at E-JCPSA6-133-052038 for orientational specificity, ring-chain equilibrium, molecular weight distribution, determination of equilibrium viscosity, ring distribution under shear flow, equilibrium solution viscosity, and diffusion coefficient of nonassociating oligomers
    • See supplementary material at http://dx.doi.org/10.1063/1.3498781 E-JCPSA6-133-052038 for orientational specificity, ring-chain equilibrium, molecular weight distribution, determination of equilibrium viscosity, ring distribution under shear flow, equilibrium solution viscosity, and diffusion coefficient of nonassociating oligomers.
  • 30
    • 0002467378 scopus 로고
    • JCTPAH 0021-9991,. 10.1006/jcph.1995.1039
    • S. Plimpton, J. Comput. Phys. JCTPAH 0021-9991 117, 1 (1995). 10.1006/jcph.1995.1039
    • (1995) J. Comput. Phys. , vol.117 , pp. 1
    • Plimpton, S.1
  • 31
    • 0029878720 scopus 로고    scopus 로고
    • VMD: Visual molecular dynamics
    • DOI 10.1016/0263-7855(96)00018-5
    • W. Humphrey, A. Dalke, and K. Schulten, J. Mol. Graphics JMGRDV 0263-7855 14, 33 (1996). 10.1016/0263-7855(96)00018-5 (Pubitemid 26152973)
    • (1996) Journal of Molecular Graphics , vol.14 , Issue.1 , pp. 33-38
    • Humphrey, W.1    Dalke, A.2    Schulten, K.3
  • 32
    • 78449313900 scopus 로고    scopus 로고
    • LAMMPS manual: http://lammps.sandia.gov/doc/fix-deform.html.
    • LAMMPS Manual
  • 35
  • 36
    • 18144411710 scopus 로고    scopus 로고
    • Shear thinning and orientational ordering of Wormlike Micelles
    • DOI 10.1103/PhysRevLett.94.017803, 017803
    • S. Förster, M. Konrad, and P. Lindner, Phys. Rev. Lett. PRLTAO 0031-9007 94, 017803 (2005). 10.1103/PhysRevLett.94.017803 (Pubitemid 40620262)
    • (2005) Physical Review Letters , vol.94 , Issue.1 , pp. 1-4
    • Forster, S.1    Konrad, M.2    Lindner, P.3
  • 37
    • 0035135184 scopus 로고    scopus 로고
    • Highly viscoelastic wormlike micellar solutions formed by cationic surfactants with long unsaturated tails
    • DOI 10.1021/la0007933
    • S. R. Raghavan and E. W. Kaler, Langmuir LANGD5 0743-7463 17, 300 (2001). 10.1021/la0007933 (Pubitemid 32159112)
    • (2001) Langmuir , vol.17 , Issue.2 , pp. 300-306
    • Raghavan, S.R.1    Kaler, E.W.2
  • 39
    • 23144447619 scopus 로고    scopus 로고
    • Giant micellar worms under shear: A rheological study using SANS
    • DOI 10.1021/la0479410
    • V. Croce, T. Cosgrove, C. A. Dreiss, S. King, G. Maitland, and T. Hughes, Langmuir LANGD5 0743-7463 21, 6762 (2005). 10.1021/la0479410 (Pubitemid 41084463)
    • (2005) Langmuir , vol.21 , Issue.15 , pp. 6762-6768
    • Croce, V.1    Cosgrove, T.2    Dreiss, C.A.3    King, S.4    Maitland, G.5    Hughes, T.6
  • 41
    • 0000911279 scopus 로고    scopus 로고
    • MOPHAM 0026-8976,. 10.1080/00268979809483151
    • K. P. Travis, D. J. Searles, and D. J. Evans, Mol. Phys. MOPHAM 0026-8976 95, 195 (1998). 10.1080/00268979809483151
    • (1998) Mol. Phys. , vol.95 , pp. 195
    • Travis, K.P.1    Searles, D.J.2    Evans, D.J.3
  • 42
    • 0019028529 scopus 로고
    • Polymer solution rheology based on a finitely extensible bead-spring chain model
    • DOI 10.1016/0377-0257(80)85007-5
    • R. Bird, P. Dotson, and N. Johnson, J. Non-Newtonian Fluid Mech. JNFMDI 0377-0257 7, 213 (1980). 10.1016/0377-0257(80)85007-5 (Pubitemid 11421854)
    • (1980) Journal of Non-Newtonian Fluid Mechanics , vol.7 , Issue.2-3 , pp. 213-235
    • Bird, R.B.1    Dotson, P.J.2    Johnson, N.L.3
  • 43
    • 0000520313 scopus 로고    scopus 로고
    • JCPSA6 0021-9606,. 10.1063/1.480087
    • D. Petera and M. Muthukumar, J. Chem. Phys. JCPSA6 0021-9606 111, 7614 (1999). 10.1063/1.480087
    • (1999) J. Chem. Phys. , vol.111 , pp. 7614
    • Petera, D.1    Muthukumar, M.2
  • 44
    • 33144475072 scopus 로고    scopus 로고
    • Concentration dependence of shear and extensional rheology of polymer solutions: Brownian dynamics simulations
    • DOI 10.1122/1.2167468
    • C. Stoltz, J. J. de Pablo, and M. D. Graham, J. Rheol. JORHD2 0148-6055 50, 137 (2006). 10.1122/1.2167468 (Pubitemid 43269366)
    • (2006) Journal of Rheology , vol.50 , Issue.2 , pp. 137-167
    • Stoltz, C.1    De Pablo, J.J.2    Graham, M.D.3
  • 45
    • 0035797782 scopus 로고    scopus 로고
    • EULEEJ 0295-5075,. 10.1209/epl/i2001-00359-2
    • M. Cates and S. Candau, Europhys. Lett. EULEEJ 0295-5075 55, 887 (2001). 10.1209/epl/i2001-00359-2
    • (2001) Europhys. Lett. , vol.55 , pp. 887
    • Cates, M.1    Candau, S.2
  • 46
    • 0343674676 scopus 로고    scopus 로고
    • Crossover effects and molecular mass regions in solutions of worm-like polymers: A new relation for the determination of their statistical segment length, based on the blob model
    • DOI 10.1016/S0032-3861(99)00679-5, PII S0032386199006795
    • A. Dondos, Polymer POLMAG 0032-3861 41, 4607 (2000). 10.1016/S0032- 3861(99)00679-5 (Pubitemid 30184653)
    • (2000) Polymer , vol.41 , Issue.12 , pp. 4607-4616
    • Dondos, A.1
  • 47
    • 0001381548 scopus 로고
    • LANGD5 0743-7463,. 10.1021/la00027a015
    • M. Turner, C. Marques, and M. Cates, Langmuir LANGD5 0743-7463 9, 695 (1993). 10.1021/la00027a015
    • (1993) Langmuir , vol.9 , pp. 695
    • Turner, M.1    Marques, C.2    Cates, M.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.