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Erschienen in: Rheologica Acta 1/2014

01.01.2014 | Original Contribution

Effect of short chain branching in molecular dimensions and Newtonian viscosity of ethylene/1-hexene copolymers: matching conformational and rheological experimental properties and atomistic simulations

verfasst von: Juan F. Vega, Javier Ramos, Javier Martínez-Salazar

Erschienen in: Rheologica Acta | Ausgabe 1/2014

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Abstract

The molecular dimensions in dilute solution and the linear viscoelastic melt properties of a series of linear ethylene/1-hexene random copolymers with variable short chain branching content are reported. The results obtained from size exclusion chromatography and viscosimetry in dilute solution show a molecular contraction as the branching level increases. Additionally, a clear dependence of the Newtonian viscosity with the short chain branching content at T = 463 K is obtained. Both experimental observations are in agreement with previous experimental results found in ethylene/α-olefin copolymers, but more interestingly with recent full atomistic simulations made in our group in this type of macromolecular systems. The dependences observed can be related to the changes observed in the macromolecular conformational features and also in the equilibration entanglement time and the molecular weight between entanglements as the number of short chain branches increases.

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Literatur
Zurück zum Zitat Aguilar M, Vega JF, Sanz E, Martínez-Salazar J (2001) New aspects on the rheological behaviour of metallocene catalysed polyethylenes. Polymer 42:9713–9721CrossRef Aguilar M, Vega JF, Sanz E, Martínez-Salazar J (2001) New aspects on the rheological behaviour of metallocene catalysed polyethylenes. Polymer 42:9713–9721CrossRef
Zurück zum Zitat Aguilar M, Vega JF, Peña B, Martínez-Salazar J (2003) Novel features of the rheological behaviour of metallocene catalysed atactic polypropylene. Polymer 44:1401–1407CrossRef Aguilar M, Vega JF, Peña B, Martínez-Salazar J (2003) Novel features of the rheological behaviour of metallocene catalysed atactic polypropylene. Polymer 44:1401–1407CrossRef
Zurück zum Zitat Ariawan AB, Hatzikiriakos SG, Goyal SK, Hay H (2001) Effects of molecular structure on the rheology and processability of blow-molding high-density polyethylene resins. Adv Polym Technol 20:1–13CrossRef Ariawan AB, Hatzikiriakos SG, Goyal SK, Hay H (2001) Effects of molecular structure on the rheology and processability of blow-molding high-density polyethylene resins. Adv Polym Technol 20:1–13CrossRef
Zurück zum Zitat Arnett RL, Thomas CP (1980) Zero-shear viscosity of some ethyl branched paraffinic model polymers. J Phys Chem 6:649–652CrossRef Arnett RL, Thomas CP (1980) Zero-shear viscosity of some ethyl branched paraffinic model polymers. J Phys Chem 6:649–652CrossRef
Zurück zum Zitat Baig C, Alexiadis O, Mavrantzas VG (2010) Advanced Monte Carlo algorithm for the atomistic simulation of short- and long-chain branched polymers: implementation for model H-shaped, A 3 A A 3multiarm (pom-pom), and short-chain branched polyethylene melts. Macromolecules 43:986–1002CrossRef Baig C, Alexiadis O, Mavrantzas VG (2010) Advanced Monte Carlo algorithm for the atomistic simulation of short- and long-chain branched polymers: implementation for model H-shaped, A 3 A A 3multiarm (pom-pom), and short-chain branched polyethylene melts. Macromolecules 43:986–1002CrossRef
Zurück zum Zitat Berry GC, Fox TG (1968) The viscosity of polymers and their concentrated solution. Adv Polym Sci 5:261–357CrossRef Berry GC, Fox TG (1968) The viscosity of polymers and their concentrated solution. Adv Polym Sci 5:261–357CrossRef
Zurück zum Zitat Chen X, Stadler FJ, Munstedt H, Larson RG (2010) Method for obtaining tube model parameters for commercial ethene/α-olefin copolymers. J Rheol 54:393–406CrossRef Chen X, Stadler FJ, Munstedt H, Larson RG (2010) Method for obtaining tube model parameters for commercial ethene/α-olefin copolymers. J Rheol 54:393–406CrossRef
Zurück zum Zitat Cole KS, Cole S (1941) Dispersion and absorption in dielectrics. J Chem Phys 9:341–351CrossRef Cole KS, Cole S (1941) Dispersion and absorption in dielectrics. J Chem Phys 9:341–351CrossRef
Zurück zum Zitat Cote JA, Shida M (1971) Long-chain branching in low-density polyethylene. J Polym Sci Part A2 Polym Phys 9:421–430CrossRef Cote JA, Shida M (1971) Long-chain branching in low-density polyethylene. J Polym Sci Part A2 Polym Phys 9:421–430CrossRef
Zurück zum Zitat Crouzet P, Martens A, Mangin P (1969) 7th international GPC seminar. Monte Carlo, p 122 Crouzet P, Martens A, Mangin P (1969) 7th international GPC seminar. Monte Carlo, p 122
Zurück zum Zitat de Gennes PG (1979) Scaling concepts in polymer physics. Cornell University Press, Ithaca de Gennes PG (1979) Scaling concepts in polymer physics. Cornell University Press, Ithaca
Zurück zum Zitat Doi M, Edwards SF (1986) The theory of polymer dynamics. Clarendon Press, Oxford Doi M, Edwards SF (1986) The theory of polymer dynamics. Clarendon Press, Oxford
Zurück zum Zitat Doran M, Choi P (2001) Molecular dynamics studies of the effects of branching characteristics on the crystalline structure of polyethylene. J Chem Phys 115:2827–2830CrossRef Doran M, Choi P (2001) Molecular dynamics studies of the effects of branching characteristics on the crystalline structure of polyethylene. J Chem Phys 115:2827–2830CrossRef
Zurück zum Zitat Drott EE, Mendelson RA (1970) Determination of polymer branching with gel-permeation chromatography. II. Experimental results for polyethylene. J Polym Sci Part A2 Polym Phys 8:1373–1385CrossRef Drott EE, Mendelson RA (1970) Determination of polymer branching with gel-permeation chromatography. II. Experimental results for polyethylene. J Polym Sci Part A2 Polym Phys 8:1373–1385CrossRef
Zurück zum Zitat Expósito MT, Vega JF, Martínez-Salazarm J (2007) Microstructure and mechanical properties of ethylene-co-styrene polymers obtained from [norbornane-7,7-bis(indenil)]titanium dichloride catalyst system. J Appl Polym Sci 106:1421–1430CrossRef Expósito MT, Vega JF, Martínez-Salazarm J (2007) Microstructure and mechanical properties of ethylene-co-styrene polymers obtained from [norbornane-7,7-bis(indenil)]titanium dichloride catalyst system. J Appl Polym Sci 106:1421–1430CrossRef
Zurück zum Zitat Ferry JD (1980) Viscoelastic properties of polymers, 3rd edn. Wiley, New York Ferry JD (1980) Viscoelastic properties of polymers, 3rd edn. Wiley, New York
Zurück zum Zitat Fetters LJ, Lee JH, Mathers RT, Hustad PD, Coates GW, Archer LA, Rucker SP, Lohse DJ (2005) Influence of syndiotactic propylene units on the rheological parameters of poly(ethylene-propylene) copolymers. Macromolecules 38:10061–10066CrossRef Fetters LJ, Lee JH, Mathers RT, Hustad PD, Coates GW, Archer LA, Rucker SP, Lohse DJ (2005) Influence of syndiotactic propylene units on the rheological parameters of poly(ethylene-propylene) copolymers. Macromolecules 38:10061–10066CrossRef
Zurück zum Zitat Gabriel C, Münstedt H (2002) Influence of long-chain branches in polyethylenes on linear viscoelastic flow properties in shear. Rheol Acta 41:232–244CrossRef Gabriel C, Münstedt H (2002) Influence of long-chain branches in polyethylenes on linear viscoelastic flow properties in shear. Rheol Acta 41:232–244CrossRef
Zurück zum Zitat Garcia-Franco CA, Mead DW (1999) Rheological and molecular characterization of linear backbone flexible polymers with the Cole–Cole model relaxation spectrum. Rheol Acta 38:34–47CrossRef Garcia-Franco CA, Mead DW (1999) Rheological and molecular characterization of linear backbone flexible polymers with the Cole–Cole model relaxation spectrum. Rheol Acta 38:34–47CrossRef
Zurück zum Zitat García-Franco CA, Harrington BA, Lohse DJ (2005) On the rheology of ethylene-octene copolymers. Rheol Acta 44:591–599 García-Franco CA, Harrington BA, Lohse DJ (2005) On the rheology of ethylene-octene copolymers. Rheol Acta 44:591–599
Zurück zum Zitat García-Franco C, Harrington BA, Lohse DJ (2006) Effect of short-chain branching on the rheology of polyolefins. Macromolecules 39:271–2717CrossRef García-Franco C, Harrington BA, Lohse DJ (2006) Effect of short-chain branching on the rheology of polyolefins. Macromolecules 39:271–2717CrossRef
Zurück zum Zitat Grubisic Z, Rempp P, Benoit H (1967) A universal calibration for gel permeation chromatography. J Polym Sci Part B Polym Lett 5:753–759CrossRef Grubisic Z, Rempp P, Benoit H (1967) A universal calibration for gel permeation chromatography. J Polym Sci Part B Polym Lett 5:753–759CrossRef
Zurück zum Zitat Harmandaris VA, Mavrantzas VG, Theodorou DN, Kröger M, Ramírez J, Öttinger HC, Vlassopoulos D (2003) Crossover from the Rouse to the entangled polymer melt regime: signals from long, detailed atomistic molecular dynamics simulations, supported by rheological experiments. Macromolecules 36:1376–1387CrossRef Harmandaris VA, Mavrantzas VG, Theodorou DN, Kröger M, Ramírez J, Öttinger HC, Vlassopoulos D (2003) Crossover from the Rouse to the entangled polymer melt regime: signals from long, detailed atomistic molecular dynamics simulations, supported by rheological experiments. Macromolecules 36:1376–1387CrossRef
Zurück zum Zitat Hussein IA, Hameed T, Williams MC (2006) Influence of molecular structure on the rheology and thermorheology of metallocene polyethylenes. J App Polym Sci 102:1717–1728CrossRef Hussein IA, Hameed T, Williams MC (2006) Influence of molecular structure on the rheology and thermorheology of metallocene polyethylenes. J App Polym Sci 102:1717–1728CrossRef
Zurück zum Zitat Karayiannis NC, Mavrantzas VG (2005) Hierarchical modeling of the dynamics of polymers with a nonlinear molecular architecture: calculation of branch point friction and chain reptation time of H-shaped polyethylene melts from long molecular dynamics simulations. Macromolecules 38:8583–8596CrossRef Karayiannis NC, Mavrantzas VG (2005) Hierarchical modeling of the dynamics of polymers with a nonlinear molecular architecture: calculation of branch point friction and chain reptation time of H-shaped polyethylene melts from long molecular dynamics simulations. Macromolecules 38:8583–8596CrossRef
Zurück zum Zitat Kazatchkov IB, Bohnet N, Goyal SK, Hatzikiriakos SG (1999) Influence of molecular structure on the rheological and processing behavior of polyethylene resins. Polym Eng Sci 39:804–815CrossRef Kazatchkov IB, Bohnet N, Goyal SK, Hatzikiriakos SG (1999) Influence of molecular structure on the rheological and processing behavior of polyethylene resins. Polym Eng Sci 39:804–815CrossRef
Zurück zum Zitat Keßner U, Kaschta J, Stadler FJ, Le Duff CS, Drooghaag X, Münstedt H (2010) Thermorheological behavior of various short- and long-chain branched polyethylenes and their correlations with the molecular structure. Macromolecules 43:7341–7350CrossRef Keßner U, Kaschta J, Stadler FJ, Le Duff CS, Drooghaag X, Münstedt H (2010) Thermorheological behavior of various short- and long-chain branched polyethylenes and their correlations with the molecular structure. Macromolecules 43:7341–7350CrossRef
Zurück zum Zitat Kilburn D, Bamford D, Lüpke T, Dlubek G, Menke TJ, Alam MA (2002) Free volume and glass transition in ethylene/1-octene copolymers: positron lifetime studies and dynamic mechanical analysis. Polymer 43:6973–6983CrossRef Kilburn D, Bamford D, Lüpke T, Dlubek G, Menke TJ, Alam MA (2002) Free volume and glass transition in ethylene/1-octene copolymers: positron lifetime studies and dynamic mechanical analysis. Polymer 43:6973–6983CrossRef
Zurück zum Zitat Kokko EA, Malmberg A, Lehmus P, Löfgren BL, Seppälä JV (2000) Influence of the catalyst and polymerization conditions on the long-chain branching of metallocene-catalyzed polyethenes. J Polym Sci A Polym Chem 38:376–388CrossRef Kokko EA, Malmberg A, Lehmus P, Löfgren BL, Seppälä JV (2000) Influence of the catalyst and polymerization conditions on the long-chain branching of metallocene-catalyzed polyethenes. J Polym Sci A Polym Chem 38:376–388CrossRef
Zurück zum Zitat Kokko E, Wang WJ, Seppälä J, Zhu S (2002) Structural analysis of polyethene prepared with rac-dimethylsilylbis (indenyl)zirconium dichloride/methylaluminoxane in a hightemperature, continuously stirred tank reactor. J Polym Sci A Polym Chem 40:3292–3301CrossRef Kokko E, Wang WJ, Seppälä J, Zhu S (2002) Structural analysis of polyethene prepared with rac-dimethylsilylbis (indenyl)zirconium dichloride/methylaluminoxane in a hightemperature, continuously stirred tank reactor. J Polym Sci A Polym Chem 40:3292–3301CrossRef
Zurück zum Zitat Labaig JJ, Monge Ph, Bednarik J (1973) Steady flow and dynamic viscoelastic properties of branched polyethylene. Polymer 14:384–386CrossRef Labaig JJ, Monge Ph, Bednarik J (1973) Steady flow and dynamic viscoelastic properties of branched polyethylene. Polymer 14:384–386CrossRef
Zurück zum Zitat Likhtman AE, McLeish TCB (2002) Quantitative theory for linear dynamics of linear entangled polymers. Macromolecules 35:6332–6343CrossRef Likhtman AE, McLeish TCB (2002) Quantitative theory for linear dynamics of linear entangled polymers. Macromolecules 35:6332–6343CrossRef
Zurück zum Zitat Lobón-Poo M, Osío-Barcina J, García-Martínez A, Expósito MT, Vega JF, Martínez-Salazar J, López M (2006) Meso-[norbornane-7,7-bis(indenyl)]titanium dichloride: a highly active catalyst for ethylene-styrene copolymerization. Macromolecules 39:7479–7482CrossRef Lobón-Poo M, Osío-Barcina J, García-Martínez A, Expósito MT, Vega JF, Martínez-Salazar J, López M (2006) Meso-[norbornane-7,7-bis(indenyl)]titanium dichloride: a highly active catalyst for ethylene-styrene copolymerization. Macromolecules 39:7479–7482CrossRef
Zurück zum Zitat Malmberg A, Kokko E, Lehmus P, Löfgren B, Seppälä JV (1998) Long-chain branched polyethene polymerized by metallocene catalysts Et[Ind]2ZrCl2/MAO and Et[IndH4]2ZrCl2/MAO. Macromolecules 31:8448–8454CrossRef Malmberg A, Kokko E, Lehmus P, Löfgren B, Seppälä JV (1998) Long-chain branched polyethene polymerized by metallocene catalysts Et[Ind]2ZrCl2/MAO and Et[IndH4]2ZrCl2/MAO. Macromolecules 31:8448–8454CrossRef
Zurück zum Zitat Malmberg A, Liimatta J, Lehtinen A, Löfgren B (1999) Characteristics of long chain branching in ethene polymerization with single site catalysts. Macromolecules 32:6687–6696CrossRef Malmberg A, Liimatta J, Lehtinen A, Löfgren B (1999) Characteristics of long chain branching in ethene polymerization with single site catalysts. Macromolecules 32:6687–6696CrossRef
Zurück zum Zitat Malmberg A, Gabriel C, Steffl T, Münstedt H, Löfgren B (2002) Long-chain branching in metallocene-catalyzed polyethylenes investigated by low oscillatory shear and uniaxial extensional rheometry. Macromolecules 35:1038–1048CrossRef Malmberg A, Gabriel C, Steffl T, Münstedt H, Löfgren B (2002) Long-chain branching in metallocene-catalyzed polyethylenes investigated by low oscillatory shear and uniaxial extensional rheometry. Macromolecules 35:1038–1048CrossRef
Zurück zum Zitat Martín S, Vega JF, Expósito MT, Flores A, Martínez-Salazar J (2011) A three-phase microstructural model to explain the mechanical relaxations of branched polyethylene: a DSC, WAXD and DMTA combined study. Coll Polym Sci 289:257–268CrossRef Martín S, Vega JF, Expósito MT, Flores A, Martínez-Salazar J (2011) A three-phase microstructural model to explain the mechanical relaxations of branched polyethylene: a DSC, WAXD and DMTA combined study. Coll Polym Sci 289:257–268CrossRef
Zurück zum Zitat Martín S, Expósito MT, Vega JF, Martínez-Salazar J (2013) Microstructure and properties of branched polyethylene: application of a three-phase structural model. J Appl Polym Sci 128:1871–1878 Martín S, Expósito MT, Vega JF, Martínez-Salazar J (2013) Microstructure and properties of branched polyethylene: application of a three-phase structural model. J Appl Polym Sci 128:1871–1878
Zurück zum Zitat Mattice LW, Suter UW (1994) Conformational theory of large molecules. Wiley, New York Mattice LW, Suter UW (1994) Conformational theory of large molecules. Wiley, New York
Zurück zum Zitat Mattozzi A, Larsson PT, Hedenqvist MS, Gedde UW (2010) n-Hexane sorption in poly(ethylene-co-1-octene)s: effect on phase composition and character. Eur Polym J 46:381–338CrossRef Mattozzi A, Larsson PT, Hedenqvist MS, Gedde UW (2010) n-Hexane sorption in poly(ethylene-co-1-octene)s: effect on phase composition and character. Eur Polym J 46:381–338CrossRef
Zurück zum Zitat Mavridis H, Shroff RN (1992) Temperature dependence of polyolefin melt rheology. Polym Eng Sci 32:1778–1791CrossRef Mavridis H, Shroff RN (1992) Temperature dependence of polyolefin melt rheology. Polym Eng Sci 32:1778–1791CrossRef
Zurück zum Zitat Miyata H, Yamaguchi M, Akashi M (2001) Structure and viscoelastic properties of amorphous ethylene/1-hexene copolymers obtained with metallocene catalyst. Polymer 42:5763–5769CrossRef Miyata H, Yamaguchi M, Akashi M (2001) Structure and viscoelastic properties of amorphous ethylene/1-hexene copolymers obtained with metallocene catalyst. Polymer 42:5763–5769CrossRef
Zurück zum Zitat Moorthi K, Kamio K, Ramos J, Theodorou DN (2013) Monte Carlo simulation of short chain branched polyolefins: structure and properties. Macromolecules 45:8453–8466CrossRef Moorthi K, Kamio K, Ramos J, Theodorou DN (2013) Monte Carlo simulation of short chain branched polyolefins: structure and properties. Macromolecules 45:8453–8466CrossRef
Zurück zum Zitat Otegui J, Vega JF, Martín S, Cruz V, Flores A, Domingo C, Martínez-Salazar J (2007) The unit cell expansion of branched polyethylene as detected by Raman spectroscopy: an experimental and simulation approach. J Mater Sci 42:1046–1049CrossRef Otegui J, Vega JF, Martín S, Cruz V, Flores A, Domingo C, Martínez-Salazar J (2007) The unit cell expansion of branched polyethylene as detected by Raman spectroscopy: an experimental and simulation approach. J Mater Sci 42:1046–1049CrossRef
Zurück zum Zitat Otegui J, Vega JF, Ramos J, Martínez-Salazar J (2013) Effect of high molar mass species on linear viscoelastic properties of polyethylene melts. Eur Polym J 49:2748–2758CrossRef Otegui J, Vega JF, Ramos J, Martínez-Salazar J (2013) Effect of high molar mass species on linear viscoelastic properties of polyethylene melts. Eur Polym J 49:2748–2758CrossRef
Zurück zum Zitat Piel C, Stadler FJ, Kaschta J, Rulhoff S, Münstedt H, Kaminsky W (2006) Structure–property relationships of linear and long-chain branched metallocene high-density polyethylenes characterized by shear rheology and SEC/MALLS. Macromol Chem Phys 207:26–38CrossRef Piel C, Stadler FJ, Kaschta J, Rulhoff S, Münstedt H, Kaminsky W (2006) Structure–property relationships of linear and long-chain branched metallocene high-density polyethylenes characterized by shear rheology and SEC/MALLS. Macromol Chem Phys 207:26–38CrossRef
Zurück zum Zitat Rachapudy H, Smith GG, Raju VR, Graessley WW (1979) Properties of amorphous and crystallizable hydrocarbon polymers. III. Studies of the hydrogenation of polybutadiene. J Polym Sci Polym Phys Ed 17:1223–1235CrossRef Rachapudy H, Smith GG, Raju VR, Graessley WW (1979) Properties of amorphous and crystallizable hydrocarbon polymers. III. Studies of the hydrogenation of polybutadiene. J Polym Sci Polym Phys Ed 17:1223–1235CrossRef
Zurück zum Zitat Raju VR, Smith GG, Marin G, Knox JR, Graessley WW (1979) Properties of amorphous and crystallizable hydrocarbon polymers. I. Melt rheology of fractions of linear polyethylene. J Polym Sci Polym Phys Ed 17:1183–1195CrossRef Raju VR, Smith GG, Marin G, Knox JR, Graessley WW (1979) Properties of amorphous and crystallizable hydrocarbon polymers. I. Melt rheology of fractions of linear polyethylene. J Polym Sci Polym Phys Ed 17:1183–1195CrossRef
Zurück zum Zitat Ramos J, Martínez-Salazar J (2011) Computer modelling of the crystallization process of single-chain ethylene/1-hexene copolymers from dilute solutions. J Polym Sci Polym Phys 49:421–430CrossRef Ramos J, Martínez-Salazar J (2011) Computer modelling of the crystallization process of single-chain ethylene/1-hexene copolymers from dilute solutions. J Polym Sci Polym Phys 49:421–430CrossRef
Zurück zum Zitat Ramos J, Peristeras LD, Theodorou DN (2007) Monte Carlo simulation of short chain branched polyolefins in the molten state. Macromolecules 40:9640–9650CrossRef Ramos J, Peristeras LD, Theodorou DN (2007) Monte Carlo simulation of short chain branched polyolefins in the molten state. Macromolecules 40:9640–9650CrossRef
Zurück zum Zitat Ramos J, Vega JF, Theodorou DN, Martínez-Salazar J (2008) Entanglement relaxation time in polyethylene: simulation versus experimental data. Macromolecules 41:2959–2962CrossRef Ramos J, Vega JF, Theodorou DN, Martínez-Salazar J (2008) Entanglement relaxation time in polyethylene: simulation versus experimental data. Macromolecules 41:2959–2962CrossRef
Zurück zum Zitat Ramos J, Vega JF, Martínez-Salazar J (2012) Assessment of entanglement features and dynamics from atomistic simulations and experiments in linear and short chain branched polyolefins. Soft Matter 8:6256–6263CrossRef Ramos J, Vega JF, Martínez-Salazar J (2012) Assessment of entanglement features and dynamics from atomistic simulations and experiments in linear and short chain branched polyolefins. Soft Matter 8:6256–6263CrossRef
Zurück zum Zitat Randall JC (1989) A review of high resolution liquid 13Carbon Nuclear Magnetic Resonance characterizations of ethylene-based polymers. J Macromol Sci Rev Macromol Chem Phys 29:201–317CrossRef Randall JC (1989) A review of high resolution liquid 13Carbon Nuclear Magnetic Resonance characterizations of ethylene-based polymers. J Macromol Sci Rev Macromol Chem Phys 29:201–317CrossRef
Zurück zum Zitat Sanmartín S, Ramos J, Martínez-Salazar J (2012) Following the crystallization process of polyethylene single chain using molecular dynamics: the role of lateral chain defects. Macromol Symp 312:97–107CrossRef Sanmartín S, Ramos J, Martínez-Salazar J (2012) Following the crystallization process of polyethylene single chain using molecular dynamics: the role of lateral chain defects. Macromol Symp 312:97–107CrossRef
Zurück zum Zitat Scholte TG, Meijerink NLJ, Schoffeleers HM, Brands AMG (1984) Mark–Houwink equation and GPC calibration for linear short-chain branched polyolefins, including polypropylene and ethylene-propylene copolymers. J Appl Polym Sci 29:3763–3782CrossRef Scholte TG, Meijerink NLJ, Schoffeleers HM, Brands AMG (1984) Mark–Houwink equation and GPC calibration for linear short-chain branched polyolefins, including polypropylene and ethylene-propylene copolymers. J Appl Polym Sci 29:3763–3782CrossRef
Zurück zum Zitat Shroff RN, Mavridis H (1999) Long-chain-branching index for essentially linear polyethylenes. Macromolecules 32:8454–8464CrossRef Shroff RN, Mavridis H (1999) Long-chain-branching index for essentially linear polyethylenes. Macromolecules 32:8454–8464CrossRef
Zurück zum Zitat Stadler FJ, Münstedt H (2008) Terminal viscous and elastic properties of linear ethene/α-olefin copolymers. J Rheol 52:697–712CrossRef Stadler FJ, Münstedt H (2008) Terminal viscous and elastic properties of linear ethene/α-olefin copolymers. J Rheol 52:697–712CrossRef
Zurück zum Zitat Stadler FJ, Piel C, Klimke K, Kaschta J, Parkinson M, Wilhelm M, Kaminsky W, Münstedt H (2006a) Influence of type and content of various comonomers on long-chain branching of ethene/α-olefin copolymers. Macromolecules 39:1474–1482CrossRef Stadler FJ, Piel C, Klimke K, Kaschta J, Parkinson M, Wilhelm M, Kaminsky W, Münstedt H (2006a) Influence of type and content of various comonomers on long-chain branching of ethene/α-olefin copolymers. Macromolecules 39:1474–1482CrossRef
Zurück zum Zitat Stadler FJ, Piel C, Kaminsky W, Münstedt H (2006b) Rheological characterization of long-chain branched polyethylenes and comparison with classical analytical methods. Macromol Symp 236:209–218CrossRef Stadler FJ, Piel C, Kaminsky W, Münstedt H (2006b) Rheological characterization of long-chain branched polyethylenes and comparison with classical analytical methods. Macromol Symp 236:209–218CrossRef
Zurück zum Zitat Stadler FJ, Gabriel C, Münstedt H (2007) Influence of short-chain branching of polyethylenes on the temperature dependence of rheological properties in shear. Macromol Chem Phys 208:2449–2454CrossRef Stadler FJ, Gabriel C, Münstedt H (2007) Influence of short-chain branching of polyethylenes on the temperature dependence of rheological properties in shear. Macromol Chem Phys 208:2449–2454CrossRef
Zurück zum Zitat Starck P, Malmberg A, Löfgren B (2002) Thermal and rheological studies on the molecular composition and structure of metallocene- and Ziegler– Natta-Catalyzed ethylene–a-olefin copolymers. J Appl Polym Sci 83:1140–1156CrossRef Starck P, Malmberg A, Löfgren B (2002) Thermal and rheological studies on the molecular composition and structure of metallocene- and Ziegler– Natta-Catalyzed ethylene–a-olefin copolymers. J Appl Polym Sci 83:1140–1156CrossRef
Zurück zum Zitat Stephanou PS, Baigm C, Tsolou G, Mavrantzas VG, Kröger M (2010) Quantifying chain reptation in entangled polymer melts: topological and dynamical mapping of atomistic simulation results onto the tube model. J Chem Phys 132:124904–1–129404-16CrossRef Stephanou PS, Baigm C, Tsolou G, Mavrantzas VG, Kröger M (2010) Quantifying chain reptation in entangled polymer melts: topological and dynamical mapping of atomistic simulation results onto the tube model. J Chem Phys 132:124904–1–129404-16CrossRef
Zurück zum Zitat Stephanou PS, Baig C, Mavrantzas VG (2011) Projection of atomistic simulation data for the dynamics of entangled polymers onto the tube theory: calculation of the segment survival probability function and comparison with modern tube models. Soft Matter 7:380–395CrossRef Stephanou PS, Baig C, Mavrantzas VG (2011) Projection of atomistic simulation data for the dynamics of entangled polymers onto the tube theory: calculation of the segment survival probability function and comparison with modern tube models. Soft Matter 7:380–395CrossRef
Zurück zum Zitat Sun T, Brant P, Chance RR, Graessley WW (2001) Effect of short chain branching on the coil dimensions of polyolefins in dilute solution. Macromolecules 34:6812–6820CrossRef Sun T, Brant P, Chance RR, Graessley WW (2001) Effect of short chain branching on the coil dimensions of polyolefins in dilute solution. Macromolecules 34:6812–6820CrossRef
Zurück zum Zitat Trinkle S, Friedrich C (2001) Van Gurp–Palmen plot: a way to characterize polydispersity of linear polymers. Rheol Acta 40:322–328CrossRef Trinkle S, Friedrich C (2001) Van Gurp–Palmen plot: a way to characterize polydispersity of linear polymers. Rheol Acta 40:322–328CrossRef
Zurück zum Zitat Trinkle S, Walter P, Friedrich C (2002) Van Gurp–Palmen Plot II—classification of long chain branched polymers by their topology. Rheol Acta 41:103–113CrossRef Trinkle S, Walter P, Friedrich C (2002) Van Gurp–Palmen Plot II—classification of long chain branched polymers by their topology. Rheol Acta 41:103–113CrossRef
Zurück zum Zitat Utracki LA, Schlund B (1987) Linear low density polyethylenes and their blends: Part 2. Shear flow of LLDPE’s. Polym Eng Sci 27:367–379CrossRef Utracki LA, Schlund B (1987) Linear low density polyethylenes and their blends: Part 2. Shear flow of LLDPE’s. Polym Eng Sci 27:367–379CrossRef
Zurück zum Zitat van Gurp M, Palmen J (1998) Time temperature superposition of polymeric blends. Rheol Bull 67:5–8 van Gurp M, Palmen J (1998) Time temperature superposition of polymeric blends. Rheol Bull 67:5–8
Zurück zum Zitat van Meerveld J (2004) A method to extract the monomer friction coefficient from the linear viscoelastic behavior of linear, entangled polymer melts. Rheol Acta 43:615–623CrossRef van Meerveld J (2004) A method to extract the monomer friction coefficient from the linear viscoelastic behavior of linear, entangled polymer melts. Rheol Acta 43:615–623CrossRef
Zurück zum Zitat Vanden Eynde S, Mathot V, Koch MHJ, Reyners H (2000) Thermal behavior and morphology of homogeneous ethylene-1-octene copolymers with high comonomer content. Polymer 41:4889–4900CrossRef Vanden Eynde S, Mathot V, Koch MHJ, Reyners H (2000) Thermal behavior and morphology of homogeneous ethylene-1-octene copolymers with high comonomer content. Polymer 41:4889–4900CrossRef
Zurück zum Zitat Vega JF, Santamaría A, Muñoz-Escalona A, Lafuente P (1998) Small-amplitude oscillatory shear flow measurements as a tool to detect very low amounts of long chain branching in polyethylenes. Macromolecules 31:3639–3647CrossRef Vega JF, Santamaría A, Muñoz-Escalona A, Lafuente P (1998) Small-amplitude oscillatory shear flow measurements as a tool to detect very low amounts of long chain branching in polyethylenes. Macromolecules 31:3639–3647CrossRef
Zurück zum Zitat Vega JF, Fernández M, Santamaría A, Muñoz-Escalona A, Lafuente P (1999) Rheological criteria to characterize metallocene catalyzed polyethylenes. Macromol Chem Phys 200:2257–2268CrossRef Vega JF, Fernández M, Santamaría A, Muñoz-Escalona A, Lafuente P (1999) Rheological criteria to characterize metallocene catalyzed polyethylenes. Macromol Chem Phys 200:2257–2268CrossRef
Zurück zum Zitat Vega JF, Aguilar M, Martínez-Salazar J (2003) Model linear metallocene-catalyzed polyolefins: melt rheological behavior and molecular dynamics. J Rheol 47:1505–1521CrossRef Vega JF, Aguilar M, Martínez-Salazar J (2003) Model linear metallocene-catalyzed polyolefins: melt rheological behavior and molecular dynamics. J Rheol 47:1505–1521CrossRef
Zurück zum Zitat Vega JF, Rastogi S, Peters GWM, Meijer HEH (2004) Rheology and reptation of linear polymers. Ultra high molecular weight chain dynamics in the melt. J Rheol 48:663–678CrossRef Vega JF, Rastogi S, Peters GWM, Meijer HEH (2004) Rheology and reptation of linear polymers. Ultra high molecular weight chain dynamics in the melt. J Rheol 48:663–678CrossRef
Zurück zum Zitat Vega JF, Martín S, Expósito MT, Martínez-Salazar J (2008a) Entanglement network and relaxation temperature dependence of single-site catalyzed ethylene/1-hexene copolymers. J Appl Polym Sci 109:1564–1569CrossRef Vega JF, Martín S, Expósito MT, Martínez-Salazar J (2008a) Entanglement network and relaxation temperature dependence of single-site catalyzed ethylene/1-hexene copolymers. J Appl Polym Sci 109:1564–1569CrossRef
Zurück zum Zitat Vega JF, Polo-Cerón D, Gómez-Ruíz S, Prashar S, Fajardo M, Martínez-Salazar J (2008b) Viscoelasticity and macromolecular topology in single-site catalyzed polyethylene. J Mat Sci 43:1745–1748CrossRef Vega JF, Polo-Cerón D, Gómez-Ruíz S, Prashar S, Fajardo M, Martínez-Salazar J (2008b) Viscoelasticity and macromolecular topology in single-site catalyzed polyethylene. J Mat Sci 43:1745–1748CrossRef
Zurück zum Zitat Vega JF, Expósito MT, Otegui J, Martínez-Salazar J (2011a) Eliminating sharkskin distortion in polyethylene extrusion via a molecular route. J Rheol 55:855–874CrossRef Vega JF, Expósito MT, Otegui J, Martínez-Salazar J (2011a) Eliminating sharkskin distortion in polyethylene extrusion via a molecular route. J Rheol 55:855–874CrossRef
Zurück zum Zitat Vega JF, Expósito MT, Martínez-Salazar J, Lobón-Poo M, Osío Barcina J, García Martínez A, López M (2011b) Molecular architecture and linear viscoelasticity of homogeneous ethylene/styrene copolymers. Rheol Acta 50:207–220CrossRef Vega JF, Expósito MT, Martínez-Salazar J, Lobón-Poo M, Osío Barcina J, García Martínez A, López M (2011b) Molecular architecture and linear viscoelasticity of homogeneous ethylene/styrene copolymers. Rheol Acta 50:207–220CrossRef
Zurück zum Zitat Villar MA, Failla MD, Quijada R, Mauler RS, Valles EM, Galland GB, Quinzani LM (2001) Rheological characterization of molten ethylene–α-olefin copolymers synthesized with Et[Ind]2 ZrCl 2/MAO catalyst. Polymer 42:9269–9279CrossRef Villar MA, Failla MD, Quijada R, Mauler RS, Valles EM, Galland GB, Quinzani LM (2001) Rheological characterization of molten ethylene–α-olefin copolymers synthesized with Et[Ind]2 ZrCl 2/MAO catalyst. Polymer 42:9269–9279CrossRef
Zurück zum Zitat Walter P, Trinkle S, Suhm J, Mäder D, Friedrich C, Mülhaupt R (2000) Short and long chain branching of polyethene prepared by means of ethene copolymerization with 1-eicosene using MAO activated Me2Si(Me4Cp)(NtBu)TiCl 2. Macromol Chem Phys 201:604–612CrossRef Walter P, Trinkle S, Suhm J, Mäder D, Friedrich C, Mülhaupt R (2000) Short and long chain branching of polyethene prepared by means of ethene copolymerization with 1-eicosene using MAO activated Me2Si(Me4Cp)(NtBu)TiCl 2. Macromol Chem Phys 201:604–612CrossRef
Zurück zum Zitat Wasserman SH, Graessley WW (1996) Prediction of linear viscoelastic response for entangled polyolefin melts from molecular weight distribution. Polym Eng Sci 36:852–861CrossRef Wasserman SH, Graessley WW (1996) Prediction of linear viscoelastic response for entangled polyolefin melts from molecular weight distribution. Polym Eng Sci 36:852–861CrossRef
Zurück zum Zitat Williamson GR, Cervenka A (1972) Characterization of low-density polyethylene by gel permeation chromatography-I. The universal calibration curve and Mark-Houwink equation. Eur Polym J 8:1009–1017CrossRef Williamson GR, Cervenka A (1972) Characterization of low-density polyethylene by gel permeation chromatography-I. The universal calibration curve and Mark-Houwink equation. Eur Polym J 8:1009–1017CrossRef
Zurück zum Zitat Wischnewski A, Monkenbusch M, Willner L, Richter D, Kali G (2003) Direct observation of the transition from free to constrained single-segment motion in entangled polymer melt. Phys Rev Lett 90:058302–1–058302-4CrossRef Wischnewski A, Monkenbusch M, Willner L, Richter D, Kali G (2003) Direct observation of the transition from free to constrained single-segment motion in entangled polymer melt. Phys Rev Lett 90:058302–1–058302-4CrossRef
Zurück zum Zitat Wood-Adams PM (1998) The effect of long chain branching on the rheological behavior of polyethylenes synthesized using constrained geometry and metaliocene catalysts. Department of Chemical Engineering McGill University, Montreal Wood-Adams PM (1998) The effect of long chain branching on the rheological behavior of polyethylenes synthesized using constrained geometry and metaliocene catalysts. Department of Chemical Engineering McGill University, Montreal
Zurück zum Zitat Wood-Adams PM, Dealy JM, deGroot AW, Redwine OD (2000) Effect of molecular structure on the linear viscoelastic behavior of polyethylene. Macromolecules 33:7489–7499CrossRef Wood-Adams PM, Dealy JM, deGroot AW, Redwine OD (2000) Effect of molecular structure on the linear viscoelastic behavior of polyethylene. Macromolecules 33:7489–7499CrossRef
Zurück zum Zitat Yang Q, Jensen MD, McDaniel MP (2010) Alternative view of long chain branch formation by metallocene catalysts. Macromolecules 43:8836–8852CrossRef Yang Q, Jensen MD, McDaniel MP (2010) Alternative view of long chain branch formation by metallocene catalysts. Macromolecules 43:8836–8852CrossRef
Zurück zum Zitat Zhang X, Li Z, Yang H, Sun C (2004) Molecular dynamics simulations on crystallization of polyethylene copolymer with precisely controlled branching. Macromolecules 37:7393–7400CrossRef Zhang X, Li Z, Yang H, Sun C (2004) Molecular dynamics simulations on crystallization of polyethylene copolymer with precisely controlled branching. Macromolecules 37:7393–7400CrossRef
Zurück zum Zitat Zhang M, Yuen F, Choi P (2006) Differences in the solid-state structures of single-site and Ziegler-Natta linear low-density polyethylenes as revealed by Molecular dynamics simulations. Macromolecules 39:8517–8525CrossRef Zhang M, Yuen F, Choi P (2006) Differences in the solid-state structures of single-site and Ziegler-Natta linear low-density polyethylenes as revealed by Molecular dynamics simulations. Macromolecules 39:8517–8525CrossRef
Metadaten
Titel
Effect of short chain branching in molecular dimensions and Newtonian viscosity of ethylene/1-hexene copolymers: matching conformational and rheological experimental properties and atomistic simulations
verfasst von
Juan F. Vega
Javier Ramos
Javier Martínez-Salazar
Publikationsdatum
01.01.2014
Verlag
Springer Berlin Heidelberg
Erschienen in
Rheologica Acta / Ausgabe 1/2014
Print ISSN: 0035-4511
Elektronische ISSN: 1435-1528
DOI
https://doi.org/10.1007/s00397-013-0735-1

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