Hostname: page-component-586b7cd67f-t8hqh Total loading time: 0 Render date: 2024-11-28T05:20:22.307Z Has data issue: false hasContentIssue false
  • English
  • Français

Monte Carlo simulations of crystallization in heterogeneous copolymers: The role of copolymer fractions with intermediate comonomer content

Published online by Cambridge University Press:  07 February 2012

Feng Yang ,
Huanhuan Gao  and
Wenbing Hu
Feng Yang
Affiliation:
Department of Polymer Science and Engineering, State Key Laboratory of Coordination Chemistry, School of Chemistry and Chemical Engineering, Nanjing University, 210093 Nanjing, China; and Kavli Institute for Theoretical Physics China at the Chinese Academy of Sciences, 100190 Beijing, China
Huanhuan Gao
Affiliation:
Department of Polymer Science and Engineering, State Key Laboratory of Coordination Chemistry, School of Chemistry and Chemical Engineering, Nanjing University, 210093 Nanjing, China; and Kavli Institute for Theoretical Physics China at the Chinese Academy of Sciences, 100190 Beijing, China
Wenbing Hu*
Affiliation:
Department of Polymer Science and Engineering, State Key Laboratory of Coordination Chemistry, School of Chemistry and Chemical Engineering, Nanjing University, 210093 Nanjing, China; and Kavli Institute for Theoretical Physics China at the Chinese Academy of Sciences, 100190 Beijing, China
*
a)Address all correspondence to this author. e-mail: [email protected]
Get access

Abstract

Heterogeneous copolymers contain diverse comonomer contents among copolymers, and the extremely diverse case becomes a binary polymer blend. We report a numerical study of crystallization in two series of heterogeneous copolymers that are separated with strong and weak heterogeneities of comonomer distributions, and both of which are composed of crystallizable monomers and noncrystallizable comonomers with various compositions. A comparison of simulation results between these two series of samples demonstrates that, something like a compatibilizer in an incompatible polymer blend, copolymer fractions with intermediate comonomer contents between two compositional extremities depress the prior liquid–liquid demixing on cooling, and hence weaken the subsequent crystallization behaviors. However, we found that in these intermediate fractions, comonomers distribute quite homogeneously on each chain and the amphiphilicity occurs on multiple short sequences, rather than like on a diblock copolymer.

Keywords

PolymerCrystallineMorphology
Type
Articles
Information
Journal of Materials Research , Volume 27 , Issue 10: Focus Issue: Crystallization Processes in Polymer-Based Materials , 28 May 2012 , pp. 1383 - 1388
Copyright
Copyright © Materials Research Society 2012

Access options

Get access to the full version of this content by using one of the access options below. (Log in options will check for institutional or personal access. Content may require purchase if you do not have access.)

References

REFERENCES

1.Ring, W., Mita, I., Jenkins, A.D., and Bikales, N.M.: Source-based nomenclature for copolymers. Pure Appl. Chem. 57, 1427 (1985).CrossRefGoogle Scholar
2.Hu, W.B., Mathot, V.B.F., and Frenkel, D.: Phase transitions of bulk statistical copolymers studied by dynamic Monte Carlo simulations. Macromolecules 36, 2165 (2003).CrossRefGoogle Scholar
3.Mathot, V.B.F.: Polycon’84 LLDPE (Plast. Rubber Inst., Chameleon Press, London, 1984), p. 1.Google Scholar
4.Schouterden, P., Groeninckx, G., van der Heyden, B., and Jansen, F.: Fractionation and thermal behaviour of linear low-density polyethylene. Polymer 28, 2099 (1987).CrossRefGoogle Scholar
5.Hosoda, S.: Structural distribution of linear low-density polyethylenes. Polym. J. 20, 383 (1988).CrossRefGoogle Scholar
6.Karbashewski, E., Kale, L., Rudin, A., Tchir, W.J., Cook, D.G., and Pronovost, J.O.: Characterization of linear low-density polyethylene by temperature rising elution fractionation and by differential scanning calorimetry. J. Appl. Polym. Sci. 44, 425 (1992).CrossRefGoogle Scholar
7.Mirabella, F.M. and Ford, E.A.: Characterization of linear low-density polyethylene: Cross-fractionation according to copolymer composition and molecular weight. J. Polym. Sci., Polym. Phys. 25, 777 (1987).CrossRefGoogle Scholar
8.Deblieck, R.A.C. and Mathot, V.B.F.: Morphology of heterogeneous ethylene-octene copolymers with very low densities (VLDPEs). J. Mater. Sci. Lett. 7, 1276 (1988).CrossRefGoogle Scholar
9.Crist, B. and Hill, M.J.: Recent developments in phase separation of polyolefin melt blends. J. Polym. Sci., Polym. Phys. 35, 2329 (1997).3.0.CO;2-E>CrossRefGoogle Scholar
10.Alamo, R.G., Graessley, W.W., Krishnamoorti, R., Lohse, D.J., Londono, J.D., Mandelkern, L., Stehling, F.C., and Wignall, G.D.: Small angle neutron scattering investigations of melt miscibility and phase segregation in blends of linear and branched polyethylenes as a function of the branch content. Macromolecules 30, 561 (1997).CrossRefGoogle Scholar
11.Fu, Q., Chiu, F.C., McCreight, K.W., Guo, M., Tseng, W.W., Cheng, S.Z.D., Keating, M.Y., Hsieh, E., and DesLauriers, P.J.: Effects of the phase-separated melt on crystallization behavior and morphology in short chain branched metallocene polyethylenes. J. Macromol. Sci., Phys. B36, 41 (1997).CrossRefGoogle Scholar
12.Chen, F., Shanks, R., and Amarasinghe, G.: Miscibility behavior of metallocene polyethylene blends. J. Appl. Polym. Sci. 81, 2227 (2001).CrossRefGoogle Scholar
13.Wang, H., Shimizu, K., Kim, H., Hobbie, E.K., Wang, Z.G., and Han, C.C.: Competing growth kinetics in simultaneously crystallizing and phase-separating polymer blends. J. Chem. Phys. 116, 7311 (2002).CrossRefGoogle Scholar
14.Zhang, X.H., Dong, X., Wang, D.J., and Han, C.C.: Interplay between two phase transitions: Crystallization and liquid-liquid phase separation in a polyolefin blend. J. Chem. Phys. 125, 024907 (2006).CrossRefGoogle Scholar
15.Wang, S.J., Wu, C.J., Ren, M.Q., Van Horn Ryan, M., Graham Matthew, J., Han, C.C., Chen, E.Q., and Cheng, Z.D.: Liquid–liquid phase separation in a polyethylene blend monitored by crystallization kinetics and crystal-decorated phase morphologies. Polymer 50, 1025 (2009).CrossRefGoogle Scholar
16.Katsumi, S., Wang, H., Wang, Z.G., Matsuba, G., Kim, H., and Han, C.C.: Crystallization and phase separation kinetics in blends of linear low-density polyethylene copolymers. Polymer 45, 7061 (2004).Google Scholar
17.Hu, W.B. and Mathot, V.B.F.: Liquid–liquid demixing in a binary polymer blend driven solely by the component-selective crystallizability. J. Chem. Phys. 119, 10953 (2003).CrossRefGoogle Scholar
18.Ma, Y., Zha, L.Y., Hu, W.B., and Han, C.C.: Crystal nucleation enhanced at the diffuse interface of immiscible polymer blends. Phy. Rev. E 77, 061801 (2008).CrossRefGoogle ScholarPubMed
19.Cai, H., Luo, X., Ma, D., Wang, J., and Tan, H.: Structure and properties of impact copolymer polypropylene. I. Chain structure. J. Appl. Polym. Sci. 71, 93 (1999).Google Scholar
20.Cai, H., Luo, X., Chen, X., Ma, D., Wang, J., and Tan, H.: Structure and properties of impact copolymer polypropylene. II. Phase structure and crystalline morphology. J. Appl. Polym. Sci. 71, 103 (1999).Google Scholar
21.Fu, Z., Fan, Z., Zhang, Y., and Feng, L.: Structure and morphology of polypropylene/poly(ethylene-co-propylene) in situ blends synthesized by spherical Ziegler–Natta catalyst. Eur. Polym. J. 39, 795 (2003).CrossRefGoogle Scholar
22.Chen, R.F., Shangguan, Y.G., Zhang, C.H., Chen, F., Harkin-Jone, E., and Zheng, Q.: Influence of molten-state annealing on the phase structure and crystallization behaviour of high impact polypropylene copolymer. Polymer 52, 2956 (2011).CrossRefGoogle Scholar
23.Zhang, C.H., Chen, R.F., Shangguan, Y.G., and Zheng, Q.: Study on high weld strength of impact propylene copolymer/high density polyethylene laminates. Chinese J. Polym. Sci. 29, 497 (2011).CrossRefGoogle Scholar
24.Hu, W-B., Karssenberg, F.G., and Mathot, V.B.F.: How a sliding restriction of comonomers affects crystallization and melting of homogeneous copolymers. Polymer 47, 5582 (2006).CrossRefGoogle Scholar
25.De Rosa, C., Auriemma, F., de Ballesteros, O.R., Resconi, L., and Camurati, I.: Crystallization behavior of isotactic propylene−ethylene and propylene−butene copolymers: Effect of comonomers versus stereo-defects on crystallization properties of isotactic polypropylene. Macromolecules 40, 6600 (2007).CrossRefGoogle Scholar