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Volumn 17, Issue 7, 2011, Pages 1767-1780

A versatile approach for modeling and simulating the tacticity of polymers

Author keywords

Computer modeling; Pentads; Single site catalysts; Stereospecific polymerization; Tacticity

Indexed keywords

MONOMER; POLYMER;

EID: 80051790180     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-010-0880-8     Document Type: Article
Times cited : (15)

References (48)
  • 2
    • 0000511292 scopus 로고
    • Polymer NSR spectroscopy. II. The high resolution spectra of methyl methacrylate polymers prepared with free radical and anionic initiators
    • 10.1002/pol.1960.1204414315 1:CAS:528:DyaF3cXpsFOjtQ%3D%3D
    • FA Bovey G Tiers 1960 Polymer NSR spectroscopy. II. The high resolution spectra of methyl methacrylate polymers prepared with free radical and anionic initiators J Polym Sci 44 173 182 10.1002/pol.1960.1204414315 1:CAS:528:DyaF3cXpsFOjtQ%3D%3D
    • (1960) J Polym Sci , vol.44 , pp. 173-182
    • Bovey, F.A.1    Tiers, G.2
  • 3
    • 0001307225 scopus 로고
    • On the stereoregularity of vinyl polymer chains
    • 10.1063/1.1727800 1:CAS:528:DyaF28XkvVaksLk%3D
    • HL Frisch CL Mallows FA Bovey 1966 On the stereoregularity of vinyl polymer chains J Chem Phys 45 1565 1577 10.1063/1.1727800 1:CAS:528: DyaF28XkvVaksLk%3D
    • (1966) J Chem Phys , vol.45 , pp. 1565-1577
    • Frisch, H.L.1    Mallows, C.L.2    Bovey, F.A.3
  • 4
    • 55349107791 scopus 로고
    • Markov Chains and Monte Carlo calculations
    • G.G. Lowry (eds). Marcel Dekker New York Chapter 7
    • Price FP (1970) Markov Chains and Monte Carlo calculations. In: Lowry GG (ed) Polymer science. Marcel Dekker, New York, Chapter 7
    • (1970) Polymer Science
    • Price, F.P.1
  • 5
    • 0012523293 scopus 로고
    • Copolymerization mathematics and the description of stereoregular polymers
    • 10.1063/1.1732298 1:CAS:528:DyaF38Xkt1ektrs%3D
    • FP Price 1962 Copolymerization mathematics and the description of stereoregular polymers J Chem Phys 36 209 218 10.1063/1.1732298 1:CAS:528:DyaF38Xkt1ektrs%3D
    • (1962) J Chem Phys , vol.36 , pp. 209-218
    • Price, F.P.1
  • 6
    • 0007077016 scopus 로고
    • On the characterization of stereoregular polymers i
    • 10.1002/pol.1960.1204614802 1:CAS:528:DyaF3MXosVKhtQ%3D%3D
    • RL Miller LE Nielsen 1960 On the characterization of stereoregular polymers I theory. J Polym Sci 46 303 316 10.1002/pol.1960.1204614802 1:CAS:528:DyaF3MXosVKhtQ%3D%3D
    • (1960) Theory. J Polym Sci , vol.46 , pp. 303-316
    • Miller, R.L.1    Nielsen, L.E.2
  • 7
    • 0001147004 scopus 로고
    • Multistate mechanism of homogeneous ionic polymerization I. The diastereosequence distribution
    • 1:CAS:528:DyaF2cXjs1Wq
    • BD Coleman TG Fox 1963 Multistate mechanism of homogeneous ionic polymerization I. The diastereosequence distribution J Polym Sci A 1 3183 3197 1:CAS:528:DyaF2cXjs1Wq
    • (1963) J Polym Sci A , vol.1 , pp. 3183-3197
    • Coleman, B.D.1    Fox, T.G.2
  • 8
    • 0014509782 scopus 로고
    • Statistical models in the study of stereospecific polymerization
    • 10.1002/pol.1969.160070502 1:CAS:528:DyaF1MXkslSqu7w%3D
    • R Shelden T Fueno J Furukawa 1969 Statistical models in the study of stereospecific polymerization J Polym Sci, A-2 Polym Phys 7 763 773 10.1002/pol.1969.160070502 1:CAS:528:DyaF1MXkslSqu7w%3D
    • (1969) J Polym Sci, A-2 Polym Phys , vol.7 , pp. 763-773
    • Shelden, R.1    Fueno, T.2    Furukawa, J.3
  • 10
    • 80051800678 scopus 로고
    • Markov trials. syndiotactic poly(propylene) and heterotactic polymers
    • 10.1002/macp.1982.021830619
    • EHG Symmetric 1982 Markov trials. syndiotactic poly(propylene) and heterotactic polymers Makromol Chem 183 1555 1564 10.1002/macp.1982.021830619
    • (1982) Makromol Chem , vol.183 , pp. 1555-1564
    • Symmetric, E.H.G.1
  • 11
    • 85050273704 scopus 로고
    • The stereochemistry of linear macromolecules
    • E.L. Eliel S.H. Wilen (eds). John Wiley & Sons New York. 10.1002/9780470147269.ch1
    • Farina M (1987) The stereochemistry of linear macromolecules. In: Eliel EL, Wilen SH (eds) Topics in stereochemistry. John Wiley & Sons, New York, pp 1-100
    • (1987) Topics in Stereochemistry , pp. 1-100
    • Farina, M.1
  • 12
    • 0023289899 scopus 로고
    • Computerized model fitting approach for the NMR analysis of polymers
    • HN Cheng 1987 Computerized model fitting approach for the NMR analysis of polymers J Chem Inf Comput Sci 27 8 13 1:CAS:528:DyaL2sXosFersw%3D%3D (Pubitemid 17554139)
    • (1987) Journal of Chemical Information and Computer Sciences , vol.27 , Issue.1 , pp. 8-13
    • Cheng, H.N.1
  • 13
    • 0024030068 scopus 로고
    • Stereochemistry of vinyl polymers and NMR characterization
    • DOI 10.1002/app.1988.070360118
    • HN Cheng 1988 Stereochemistry of vinyl polymers and NMR characterization J Appl Polym Sci 36 229 241 10.1002/app.1988.070360118 1:CAS:528: DyaL1cXksFGmt7o%3D (Pubitemid 18624041)
    • (1988) Journal of Applied Polymer Science , vol.36 , Issue.1 , pp. 229-241
    • Cheng, H.N.1
  • 15
    • 0004256288 scopus 로고
    • Statistical propagation models for Ziegler-Natta polymerization
    • T.C. Chung (eds). Plenum New York and London
    • Cheng HN (1993) Statistical propagation models for Ziegler-Natta polymerization. In: Chung TC (ed) New advances in polyolefins. Plenum, New York and London, pp 15-30
    • (1993) New Advances in Polyolefins , pp. 15-30
    • Cheng, H.N.1
  • 16
    • 0042747517 scopus 로고    scopus 로고
    • Structural studies of polymers by solution NMR
    • report 125
    • Cheng HN (2001) Structural studies of polymers by solution NMR; Rapra Review Reports, vol 11 no 5 report 125
    • (2001) Rapra Review Reports , vol.11 , Issue.5
    • Cheng, H.N.1
  • 17
    • 84981462472 scopus 로고
    • Probalistic multi-site modelling of propene polymerization using Markov models
    • 10.1002/mats.1993.040020310
    • MW van der Burg JC Chadwick O Sudmeijer HFA Tulleken 1993 Probalistic multi-site modelling of propene polymerization using Markov models Makromol Chem Theory Simul 2 399 420 10.1002/mats.1993.040020310
    • (1993) Makromol Chem Theory Simul , vol.2 , pp. 399-420
    • Van Der Burg, M.W.1    Chadwick, J.C.2    Sudmeijer, O.3    Tulleken, H.F.A.4
  • 18
    • 0027554131 scopus 로고
    • Hemiisotactic polypropylene: A key point in the elucidation of the polymerization mechanism with metallocene catalysts
    • M Farina G DiSilvestro P Sozzani 1993 Hemiisotactic polypropylene: a key point in the elucidation of the polymerization mechanism with metallocene catalysts Macromolecules 26 946 950 10.1021/ma00057a010 1:CAS:528: DyaK3sXhtVamtLw%3D (Pubitemid 23682784)
    • (1993) Macromolecules , vol.26 , Issue.5 , pp. 946-950
    • Farina, M.1    Di Silvestro, G.2    Sozzani, P.3
  • 19
    • 0021515930 scopus 로고
    • Mechanisms of stereochemical control in propylene polymerizations with soluble group 4B metallocene/methylalumoxane catalysts
    • 10.1021/ja00333a041 1:CAS:528:DyaL2cXlsFagurg%3D
    • JA Ewen 1984 Mechanisms of stereochemical control in propylene polymerizations with soluble group 4B metallocene/methylalumoxane catalysts J Am Chem Soc 106 6355 6364 10.1021/ja00333a041 1:CAS:528:DyaL2cXlsFagurg%3D
    • (1984) J Am Chem Soc , vol.106 , pp. 6355-6364
    • Ewen, J.A.1
  • 20
    • 0032570898 scopus 로고    scopus 로고
    • Symmetry rules and reaction mechanisms of Ziegler-Natta catalysts
    • DOI 10.1016/S1381-1169(97)00167-2, PII S1381116997001672
    • JA Ewen 1998 Symmetry rules and reaction mechanisms of Ziegler-Natta catalysts J Mol Catal, A Chem 128 103 109 10.1016/S1381-1169(97)00167-2 1:CAS:528:DyaK1cXhvFCrt7o%3D (Pubitemid 28187042)
    • (1998) Journal of Molecular Catalysis A: Chemical , vol.128 , Issue.1-3 , pp. 103-109
    • Ewen, J.A.1
  • 22
    • 0032485745 scopus 로고    scopus 로고
    • Statistical analysis and simulation of pentad distributions of stereoblock polypropylenes
    • 10.1021/ma970942x 1:CAS:528:DyaK1cXis12is74%3D
    • MD Bruce RM Waymouth 1998 Statistical analysis and simulation of pentad distributions of stereoblock polypropylenes Macromolecules 31 2707 2715 10.1021/ma970942x 1:CAS:528:DyaK1cXis12is74%3D
    • (1998) Macromolecules , vol.31 , pp. 2707-2715
    • Bruce, M.D.1    Waymouth, R.M.2
  • 23
    • 0033740673 scopus 로고    scopus 로고
    • Selectivity in propene polymerization with metallocene catalysts
    • 10.1021/cr9804691 1:CAS:528:DC%2BD3cXhvFKgu7g%3D
    • L Resconi L Cavallo A Fait F Piemontesi 2000 Selectivity in propene polymerization with metallocene catalysts Chem Rev 100 1253 1345 10.1021/cr9804691 1:CAS:528:DC%2BD3cXhvFKgu7g%3D
    • (2000) Chem Rev , vol.100 , pp. 1253-1345
    • Resconi, L.1    Cavallo, L.2    Fait, A.3    Piemontesi, F.4
  • 24
    • 0033752160 scopus 로고    scopus 로고
    • Precise control of polyolefin stereochemistry using single-site metal catalysts
    • 10.1021/cr990286u 1:CAS:528:DC%2BD3cXhvFKgu7Y%3D
    • GW Coates 2000 Precise control of polyolefin stereochemistry using single-site metal catalysts Chem Rev 100 1223 1252 10.1021/cr990286u 1:CAS:528:DC%2BD3cXhvFKgu7Y%3D
    • (2000) Chem Rev , vol.100 , pp. 1223-1252
    • Coates, G.W.1
  • 25
    • 0013440761 scopus 로고    scopus 로고
    • 1-symmetric ansa-metallocene catalysts: A new strategy for the synthesis of elastomeric polypropylene
    • 10.1021/om010788+ 1:CAS:528:DC%2BD38XptVKltQ%3D%3D
    • 1-symmetric ansa-metallocene catalysts: a new strategy for the synthesis of elastomeric polypropylene Organometallics 21 934 945 10.1021/om010788+ 1:CAS:528:DC%2BD38XptVKltQ%3D%3D
    • (2002) Organometallics , vol.21 , pp. 934-945
    • Miller, S.A.1    Bercaw, J.E.2
  • 26
    • 2942567992 scopus 로고    scopus 로고
    • Isotactic block length distribution in polypropylene: Bernoullian vs hemiisotactic
    • 10.1021/ma035206+ 1:CAS:528:DC%2BD2cXjs1ektrs%3D
    • S Miller 2004 Isotactic block length distribution in polypropylene: bernoullian vs hemiisotactic Macromolecules 37 3983 3995 10.1021/ma035206+ 1:CAS:528:DC%2BD2cXjs1ektrs%3D
    • (2004) Macromolecules , vol.37 , pp. 3983-3995
    • Miller, S.1
  • 27
    • 0036569403 scopus 로고    scopus 로고
    • Mesoscopic modeling of the polymerization, morphology, and crystallization of stereoblock and stereoregular polypropylenes
    • DOI 10.1002/polb.10148
    • TM Madkour JE Mark 2002 Mescoscopic modelling of the polymerization, morphology, and crystallization of stereblock and stereregular polypropylenes J Polym Sci, B, Polym Phys 40 840 853 10.1002/polb.10148 1:CAS:528: DC%2BD38XjslSktb4%3D (Pubitemid 34428559)
    • (2002) Journal of Polymer Science, Part B: Polymer Physics , vol.40 , Issue.9 , pp. 840-853
    • Madkour, T.M.1    Mark, J.E.2
  • 31
    • 0029219187 scopus 로고
    • Oscillating stereocontrol: A strategy for the synthesis of thermoplastic elastomeric polypropylene
    • 10.1126/science.267.5195.217 1:CAS:528:DyaK2MXjt1ensLo%3D
    • GW Coates RM Waymouth 1995 Oscillating stereocontrol: a strategy for the synthesis of thermoplastic elastomeric polypropylene Science 267 217 219 10.1126/science.267.5195.217 1:CAS:528:DyaK2MXjt1ensLo%3D
    • (1995) Science , vol.267 , pp. 217-219
    • Coates, G.W.1    Waymouth, R.M.2
  • 32
    • 0034300595 scopus 로고    scopus 로고
    • Two-state models for olefin polymerization using metallocene catalysts. 1. Application to fluxional metallocene catalyst systems
    • 10.1021/ma000401z 1:CAS:528:DC%2BD3cXmt1ChtLc%3D
    • M Nele S Collins ML Dias JC Pinto S Lin RM Waymouth 2000 Two-state models for olefin polymerization using metallocene catalysts. 1. Application to fluxional metallocene catalyst systems Macromolecules 33 7249 7260 10.1021/ma000401z 1:CAS:528:DC%2BD3cXmt1ChtLc%3D
    • (2000) Macromolecules , vol.33 , pp. 7249-7260
    • Nele, M.1    Collins, S.2    Dias, M.L.3    Pinto, J.C.4    Lin, S.5    Waymouth, R.M.6
  • 33
    • 0032690160 scopus 로고    scopus 로고
    • High-resolution 13C NMR configurational analysis of polypropylene made with MgCl2-supported Ziegler-Natta catalysts. 1. The "model" system MgCl2/TiCl4-2, 6-dimethylpyridine/Al(C2H5)3
    • 10.1021/ma981941n 1:CAS:528:DyaK1MXjs1Kjurg%3D
    • V Busico R Cipullo G Monaco G Talarico M Vacatello JC Chadwick AL Segre O Sudmeijer 1999 High-resolution 13C NMR configurational analysis of polypropylene made with MgCl2-supported Ziegler-Natta catalysts. 1. The "model" system MgCl2/TiCl4-2, 6-dimethylpyridine/Al(C2H5)3 Macromolecules 32 4173 4182 10.1021/ma981941n 1:CAS:528:DyaK1MXjs1Kjurg%3D
    • (1999) Macromolecules , vol.32 , pp. 4173-4182
    • Busico, V.1    Cipullo, R.2    Monaco, G.3    Talarico, G.4    Vacatello, M.5    Chadwick, J.C.6    Segre, A.L.7    Sudmeijer, O.8
  • 34
    • 0027644574 scopus 로고
    • Tacticity distribution and simulation
    • 10.1021/ma00070a008 1:CAS:528:DyaK3sXltFyhsLw%3D
    • HN Cheng LJ Kasehagen 1993 Tacticity distribution and simulation Macromolecules 26 4774 4782 10.1021/ma00070a008 1:CAS:528:DyaK3sXltFyhsLw%3D
    • (1993) Macromolecules , vol.26 , pp. 4774-4782
    • Cheng, H.N.1    Kasehagen, L.J.2
  • 35
    • 0017020030 scopus 로고
    • Carbo-13 nuclear magnetic resonance quantitative measurements of average sequence lengths of like stereochemical additions in polypropylene and polystyrene
    • 10.1002/pol.1976.180141113
    • JC Randall 1976 Carbo-13 nuclear magnetic resonance quantitative measurements of average sequence lengths of like stereochemical additions in polypropylene and polystyrene J Polym Sci, Polym Phys Ed 14 2083 10.1002/pol.1976.180141113
    • (1976) J Polym Sci, Polym Phys Ed , vol.14 , pp. 2083
    • Randall, J.C.1
  • 36
    • 80051799966 scopus 로고    scopus 로고
    • Copoly: A tool for understanding copolymerization and monomer sequence distribution of copolymers
    • M Miri J Morales-Tirado 2003 Copoly: a tool for understanding copolymerization and monomer sequence distribution of copolymers J Chem Educ 80 838
    • (2003) J Chem Educ , vol.80 , pp. 838
    • Miri, M.1    Morales-Tirado, J.2
  • 37
    • 0022012004 scopus 로고
    • Stereochemical composition-properties relationships in isotactic polypropylenes obtained with different catalyst systems
    • DOI 10.1016/0032-3861(85)90039-4
    • E Martuscelli M Avella AL Segre E Rossi G Di Drusco P Galli T Simonazzi 1985 Stereochemical composition-properties relationships in isotactic polypropylenes obtained with different catalyst systems Polymer 26 259 269 10.1016/0032-3861(85)90039-4 1:CAS:528:DyaL2MXhsFSjtro%3D (Pubitemid 15495091)
    • (1985) Polymer , vol.26 , Issue.2 , pp. 259-269
    • Martuscelli Ezio1    Avella Maurizio2    Segre Anna Laura3    Rossi Enrico4    Di Drusco Giovanni5    Galli Paolo6    Simonazzi Tonino7
  • 40
    • 49149120342 scopus 로고    scopus 로고
    • Polymerization of methyl acrylate and as comonomer with ethylene using a Bis(imino)pyridine iron(II) chloride/methylaluminoxane catalyst
    • 10.1002/pola.22875 1:CAS:528:DC%2BD1cXhtVehtb3O
    • MJ Fullana MJ Miri SS Vadhavkar N Kolhatkar AC Delis 2008 Polymerization of methyl acrylate and as comonomer with ethylene using a Bis(imino)pyridine iron(II) chloride/methylaluminoxane catalyst J Polym Sci, A, Polym Chem 46 5542 5558 10.1002/pola.22875 1:CAS:528:DC%2BD1cXhtVehtb3O
    • (2008) J Polym Sci, A, Polym Chem , vol.46 , pp. 5542-5558
    • Fullana, M.J.1    Miri, M.J.2    Vadhavkar, S.S.3    Kolhatkar, N.4    Delis, A.C.5
  • 41
    • 0005430650 scopus 로고    scopus 로고
    • Stereospecific living polymerization of methacrylate and construction of stereoregular polymer architecture
    • K. Hatada T. Kitayama O. Vogl (eds). CRC Chichester
    • Hatada K, Kitayama T (1996) Stereospecific living polymerization of methacrylate and construction of stereoregular polymer architecture. In: Hatada K, Kitayama T, Vogl O (eds) Macromolecular design of polymeric materials. CRC, Chichester, pp 139-163
    • (1996) Macromolecular Design of Polymeric Materials , pp. 139-163
    • Hatada, K.1    Kitayama, T.2
  • 42
    • 0042576960 scopus 로고
    • Crystalline syndiotactic polystyrene
    • 10.1021/ma00163a027 1:CAS:528:DyaL28XltlCnsrc%3D
    • N Ishihara T Seimiya M Kuramoto M Uoi 1986 Crystalline syndiotactic polystyrene Macromolecules 19 2464 2465 10.1021/ma00163a027 1:CAS:528: DyaL28XltlCnsrc%3D
    • (1986) Macromolecules , vol.19 , pp. 2464-2465
    • Ishihara, N.1    Seimiya, T.2    Kuramoto, M.3    Uoi, M.4
  • 43
    • 0024129148 scopus 로고
    • Stereospecific polymerization of styrene giving the syndiotactic polymer
    • 10.1021/ma00190a003 1:CAS:528:DyaL1cXmtlWmu7g%3D
    • N Ishihara M Kuramoto M Uoi 1988 Stereospecific polymerization of styrene giving the syndiotactic polymer Macromolecules 21 3356 3360 10.1021/ma00190a003 1:CAS:528:DyaL1cXmtlWmu7g%3D
    • (1988) Macromolecules , vol.21 , pp. 3356-3360
    • Ishihara, N.1    Kuramoto, M.2    Uoi, M.3
  • 44
    • 33845279950 scopus 로고
    • Syndiospecific propylene polymerizations with group IVB metallocenes
    • 10.1021/ja00226a056 1:CAS:528:DyaL1cXkvFelurY%3D
    • JA Ewen RL Jones A Razavi JD Ferrara 1988 Syndiospecific propylene polymerizations with group IVB metallocenes J Am Chem Soc 110 6255 6256 10.1021/ja00226a056 1:CAS:528:DyaL1cXkvFelurY%3D
    • (1988) J Am Chem Soc , vol.110 , pp. 6255-6256
    • Ewen, J.A.1    Jones, R.L.2    Razavi, A.3    Ferrara, J.D.4
  • 45
    • 0026138543 scopus 로고
    • π-face selectivity in syndiospecific propylene polymerizations with Zr(IV) monoalkyl cation
    • 1:CAS:528:DyaK3MXmtlaqtrs%3D
    • JA Ewen MJ Elder CJ Harlan RL Jones JL Atwood SG Bott K Robinson 1991 π-face selectivity in syndiospecific propylene polymerizations with Zr(IV) monoalkyl cation Polym Prepr (ACS) 32 469 470 1:CAS:528:DyaK3MXmtlaqtrs%3D
    • (1991) Polym Prepr (ACS) , vol.32 , pp. 469-470
    • Ewen, J.A.1    Elder, M.J.2    Harlan, C.J.3    Jones, R.L.4    Atwood, J.L.5    Bott, S.G.6    Robinson, K.7
  • 46
    • 35448940095 scopus 로고    scopus 로고
    • Olefin polymerization catalyzed by metallocenes
    • PII S0360056402460221
    • W Kaminsky 2001 Olefin polymerization catalyzed by metallocenes Adv Catal 46 89 159 10.1016/S0360-0564(02)46022-1 1:CAS:528:DC%2BD3MXnsVKnsL4%3D (Pubitemid 33805028)
    • (2001) Advances in Catalysis , vol.46 , pp. 89-159
    • Kaminsky, W.1
  • 47
    • 0035957450 scopus 로고    scopus 로고
    • 1 symmetric group 4 ansa-metallocene catalysts
    • DOI 10.1021/ma002034x
    • 1 symmetric group 4 ansa-metallocene catalysts Macromolecules 34 2072 2082 10.1021/ma002034x 1:CAS:528:DC%2BD3MXhsV2ktLc%3D (Pubitemid 34216776)
    • (2001) Macromolecules , vol.34 , Issue.7 , pp. 2072-2082
    • Leino, R.1    Gomez, F.J.2    Cole, A.P.3    Waymouth, R.M.4
  • 48
    • 0033528618 scopus 로고    scopus 로고
    • Polymerization of propylene by a new generation of iron catalysts: Mechanisms of chain initiation, propagation, and termination
    • 10.1021/ma981698s 1:CAS:528:DyaK1MXhs1eksb8%3D
    • BL Small M Brookhart 1999 Polymerization of propylene by a new generation of iron catalysts: mechanisms of chain initiation, propagation, and termination Macromolecules 32 2120 2130 10.1021/ma981698s 1:CAS:528:DyaK1MXhs1eksb8%3D
    • (1999) Macromolecules , vol.32 , pp. 2120-2130
    • Small, B.L.1    Brookhart, M.2


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