A model for chain folding in polymer crystals: rough growth faces are consistent with the observed growth rates

Sadler, D. M.; Gilmer, George H.

doi:10.1016/0032-3861(84)90108-3

Cited by 147 publications

(89 citation statements)

References 20 publications

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“…As the systems were of different chemical composition (one was polyethylene the other PVA) agreement was not neccessarily expected, but one might have hoped to find a generally applicable picture. At the same time neither of the simulation results is consistent with the classical theories on polymer crystallization presented by Lauritzen and Hoffman (LH) [53] and Sadler and Gilmer (SD) [54].…”

Section: Introductionsupporting

confidence: 84%

Crystallization of polyethylene: A molecular dynamics simulation study of the nucleation and growth mechanisms

Anwar

Schilling

2015

Polymer

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a b s t r a c tWe have performed molecular dynamics simulations to study the mechanism of crystallization from an undercooled polyethylene (C500) melt. We observe that crystal nucleation is initiated by the alignment of chain segments, which is followed by straightening of the chains and densification. Growth procedes via alignment of segments, which are in the vicinity of the growth front, with the chains in the crystalline lamella. Once chains are attached, the lamella thickens by sliding of the segments along the long axis of the chain from the amorphous regions into the crystalline regions. We do not observe the formation of any folded precursors.

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Section: Introductionsupporting

confidence: 84%

Crystallization of polyethylene: A molecular dynamics simulation study of the nucleation and growth mechanisms

Anwar

Schilling

2015

Polymer

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“…Though the theory inevitably has many deficiencies, here we only point out several of them. For more details, readers can refer to [8,67,[84][85][86].…”

Section: The Hoffman-lauritzen Theorymentioning

confidence: 99%

“…This concept was subsequently extended by Sadler and Gilmer [85] and now known as the Sadler-Gilmer (SG) model, which will be discussed in detail in the following section.…”

Section: δL Catastrophementioning

confidence: 99%

“…In 1983, Sadler and Gilmer [105] took this idea to extremes and argued that the nucleation barrier is completely an "entropy barrier" without enthalpic contribution. Meanwhile, they proposed that the regime transition from I to II corresponded to the transition from rough surface nucleation to smooth surface nucleation [85,105,106].…”

Section: The Sadler-gilmer Modelmentioning

confidence: 99%

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A Review on Polymer Crystallization Theories

2016

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Abstract:It is the aim of this article to review the major theories of polymer crystallization since up to now we still have not completely comprehended the underlying mechanism in a unified framework. A lack of paradigm is an indicator of immaturity of the field itself; thus, the fundamental issue of polymer crystallization remains unsolved. This paper provides an understanding of the basic hypothesis, as well as relevant physical implications and consequences of each theory without too much bias. We try to present the essential aspects of the major theories, and intuitive physical arguments over rigorously mathematical calculations are highlighted. In addition, a detailed comparison of various theories will be made in a logical and self-contained fashion. Our personal view of the existing theories is presented as well, aiming to inspire further open discussions. We expect that new theories based on the framework of kinetics with direct consideration of long-range multi-body correlation will help solve the remaining problems in the field of polymer crystallization.

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“…2 Moreover, two of the more dominant approaches-Lauritzen-Hoffman surface nucleation theory [3][4][5] and the entropic barrier model [6][7][8][9] -appear irreconcilable. One of the difficulties is that the theories have to make specific assumptions about the microscopic mechanisms of crystallization.…”

Section: Introductionmentioning

confidence: 99%

Crystallization of a polymer on a surface

Doye

Frenkel

1998

The Journal of Chemical Physics

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We have studied the structure and free energy landscape of a semiflexible lattice polymer in the presence of the surface of a polymer crystal. At low temperatures coexistence of two-dimensional integer-folded crystals is observed. As the temperature is increased there is a transition from these crystalline configurations to a disordered coil adsorbed onto the surface. The polymer then gradually develops a three-dimensional character at higher temperatures. We compute the free energy as a function of increasing crystallinity and compare with the free energy profiles assumed by the Lauritizen-Hoffman surface nucleation theory of polymer crystallization. Our free energy profiles exhibit a ''sawtooth'' structure associated with the successive formation of chain folds. However, in the early stages of crystallization our profiles significantly deviate from those assumed by surface nucleation theory because the initial nucleus is not a single stem but two incomplete stems connected by a fold. This finding has significant implications for the theoretical description of polymer crystallization.

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A model for chain folding in polymer crystals: rough growth faces are consistent with the observed growth rates

Cited by 147 publications

References 20 publications

Crystallization of polyethylene: A molecular dynamics simulation study of the nucleation and growth mechanisms

Crystallization of polyethylene: A molecular dynamics simulation study of the nucleation and growth mechanisms

A Review on Polymer Crystallization Theories

Crystallization of a polymer on a surface

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