Disentanglement of Linear Polymer Chains Toward Unentangled Crystals

Luo, Chuanfu; Sommer, Jens-Uwe

doi:10.1021/mz300552x

Cited by 88Polymer crystallization and propertiesMaterial Dynamics and PropertiesSolidification and crystal growth phenomena

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Disentanglement of Linear Polymer Chains Toward Unentangled Crystals

Luo, Chuanfu, Sommer, Jens-Uwe·2013·ACS Macro Letters

DOI 10.1021/mz300552x

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Abstract

Large scale and long time molecular dynamics simulations and primitive path analysis are used to investigate the disentanglement of long linear polymer chains during their crystallization from the melt state. In general, two competitive processes, a slow decrease of average entanglement length during cooling caused by stiffening of chains and a strong increase during crystallization, can be observed. In both homogeneous and heterogeneous nucleation, disentanglement occurs via forming folds from locally unentangled segments and continues in postcrystallization processes (slow reorganization), in particular, during annealing. Re-entanglement processes after melting are slow and can lead to memory effects in heating-recooling protocols such as self-seeding.

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The sudden disentanglement and the increase in density were signs of crystallization.
“The sudden disentanglement shown in Fig. 3a and the increase in density in Fig. 3d were signs of crystallization [18,72].”
From Molecular dynamics simulation of linear polyethylene blends: Effect of molar mass bimodality on topological characteristics and mechanical behavior (2019) · cites this paper as [72]
Entanglement characteristics in the molten state, even at temperatures much higher than the crystallization temperature, affect the final semicrystalline state.
“It has been shown that the entanglement characteristics in the molten state, even at temperatures much higher than the crystallization temperature, affect the final semicrystalline state [18,72].”
From Molecular dynamics simulation of linear polyethylene blends: Effect of molar mass bimodality on topological characteristics and mechanical behavior (2019) · cites this paper as [72]
The number of entanglements Z increased during cooling, in agreement with other computational studies.
“This is also observable in Fig. 3a, where the Z increased in agreement with other computational studies [18,72].”
From Molecular dynamics simulation of linear polyethylene blends: Effect of molar mass bimodality on topological characteristics and mechanical behavior (2019) · cites this paper as [72]

Rheology and microscopic topology of entangled polymeric liquids
Everaers, R., Sukumaran, S. K., Grest, G. S., Svaneborg, C., Sivasubramanian, A., & Kremer, K. (2004) · Science · doi:10.1126/science.1091215 · Cited by 832
Heterogeneity in polymer melts from melting of polymer crystals
Rastogi, S., Lippits, D. R., Peters, G. G., Graf, R., Yao, Y., & Spiess, H. W. (2005) · Nature Materials · doi:10.1038/nmat1437 · Cited by 393
Spinodal-Assisted Crystallization in Polymer Melts
Olmsted, P. D., Poon, W. C. K., McLeish, T. C. B., Terrill, N. J., & Ryan, A. J. (1998) · Physical Review Letters · doi:10.1103/physrevlett.81.373 · Cited by 388
Cloning polymer single crystals through self-seeding
Xu, J., Ma, Y., Hu, W., Rehahn, M., & Reiter, G. (2009) · Nature Materials · doi:10.1038/nmat2405 · Cited by 286
Identifying the primitive path mesh in entangled polymer liquids
Sukumaran, S. K., Grest, G. S., Kremer, K., & Everaers, R. (2005) · Journal of Polymer Science Part B: Polymer Physics · doi:10.1002/polb.20384 · Cited by 277
Colloquium: Laws controlling crystallization and melting in bulk polymers
Strobl, G. R. (2009) · Reviews of Modern Physics · doi:10.1103/revmodphys.81.1287 · Cited by 270
Strain hardening of polymer glasses: Effect of entanglement density, temperature, and rate
Hoy, R. S., & Robbins, M. O. (2006) · Journal of Polymer Science Part B: Polymer Physics · doi:10.1002/polb.21012 · Cited by 219
Formation of Chain-Folded Structures in Supercooled Polymer Melts Examined by MD Simulations
Meyer, H., & Müller‐Plathe, F. (2002) · Macromolecules · doi:10.1021/ma011309l · Cited by 208
Atomistic simulations of spinodal phase separation preceding polymer crystallization
Gee, R. H., Lacevic, N., & Fried, L. E. (2006) · Nature Materials · doi:10.1038/nmat1543 · Cited by 196
Primitive Path Identification and Entanglement Statistics in Polymer Melts: Results from Direct Topological Analysis on Atomistic Polyethylene Models
Foteinopoulou, K., Karayiannis, N. C., Mavrantzas, V. G., & Kröger, M. (2006) · Macromolecules · doi:10.1021/ma060306b · Cited by 168
Intramolecular Nucleation Model for Polymer Crystallization
Hu, W., Frenkel, D., & Mathot, V. (2003) · Macromolecules · doi:10.1021/ma0344285 · Cited by 137
Growth Pathway and Precursor States in Single Lamellar Crystallization: MD Simulations
Luo, C., & Sommer, J. (2011) · Macromolecules · doi:10.1021/ma102380m · Cited by 134
Self-citation
Modeling Polymer Crystallization
Muthukumar, M. (2005) · Springer eBooks · doi:10.1007/12_008 · Cited by 113
Formation of Entanglements in Initially Disentangled Polymer Melts
Lippits, D. R., Rastogi, S., Talebi, S., & Bailly, C. (2006) · Macromolecules · doi:10.1021/ma062284z · Cited by 108
Viscoelasticity and primitive path analysis of entangled polymer liquids: From F-actin to polyethylene
Uchida, N., Grest, G. S., & Everaers, R. (2008) · The Journal of Chemical Physics · doi:10.1063/1.2825597 · Cited by 93
Coding coarse grained polymer model for LAMMPS and its application to polymer crystallization
Luo, C., & Sommer, J. (2009) · Computer Physics Communications · doi:10.1016/j.cpc.2009.01.028 · Cited by 93
Self-citation
Theoretical aspects of polymer crystallization with chain folds: Bulk polymers
Hoffman, J. (1964) · Polymer Engineering and Science · doi:10.1002/pen.760040413 · Cited by 91
Is crystallization from the melt controlled by melt viscosity and entanglement effects?
DiMarzio, E. A., Guttman, C. M., & Hoffman, J. (1979) · Faraday Discussions of the Chemical Society · doi:10.1039/dc9796800210 · Cited by 73
Self-Seeding Effect on Primary Nucleation of Isotactic Polystyrene
Mamun, A., Umemoto, S., Okui, N., & Ishihara, N. (2007) · Macromolecules · doi:10.1021/ma070963j · Cited by 72
Coexistence of Melting and Growth during Heating of a Semicrystalline Polymer
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Self-citation
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Xiang, Y., Kong, B., & Yang, X. (2008) · Macromolecules · doi:10.1021/ma800172t · Cited by 65
Molecular dynamics simulations of steady-state crystal growth and homogeneous nucleation in polyethylene-like polymer
Yamamoto, T. (2008) · The Journal of Chemical Physics · doi:10.1063/1.3009229 · Cited by 65
Polymer crystal–melt interfaces and nucleation in polyethylene
Milner, S. T. (2011) · Soft Matter · doi:10.1039/c0sm00070a · Cited by 60

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1 of the 24 references couldn’t be matched to a known paper.

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Strobl G., 2007, The Physics of Polymers
Plimpton S., 1995, J. Chem. Phys., 177, 1

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Authors: Luo, C., & Sommer, J.-U.
Affiliations: Leibniz Institute of Polymer Research (DE)
Corresponding author: Luo, Chuanfu
ORCID: Luo, Chuanfu
Sommer, Jens-Uwe
Venue: ACS Macro Letters
Publisher: American Chemical Society (ACS)
Published: 2012-12-21
Volume: 2
Issue: 1
Pages: 31-34
ISSN: 2161-1653 (ISSN-L)
DOI: 10.1021/mz300552x
OpenAlex: W2327603726
Cited by: 88
References: 24
Citations by year: 2026: 4 · 2025: 10 · 2024: 12 · 2023: 13 · 2022: 7 · 2021: 8 · 2020: 5 · 2019: 6 · 2018: 3 · 2017: 5 · 2016: 7 · 2015: 3 · 2014: 2 · 2013: 3
FWCI: 2.01
Type: journal article
Language: en
Open access: closed
Locations: ACS Macro Letters (publishedVersion)
PubMed (publishedVersion)
Funders: Deutsche Forschungsgemeinschaft
Zentrum für Informationsdienste und Hochleistungsrechnen, Technische Universität Dresden
Topics: Physical Sciences › Materials Science › Polymers and Plastics › Polymer crystallization and properties
Physical Sciences › Materials Science › Materials Chemistry › Material Dynamics and Properties
Physical Sciences › Materials Science › Materials Chemistry › Solidification and crystal growth phenomena
Keywords: entanglement length, polymer crystallization, linear polymer chains, heterogeneous nucleation, homogeneous nucleation, annealing, self-seeding, memory effects

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Disentanglement of Linear Polymer Chains Toward Unentangled Crystals

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