Cross Nucleation in Polyethylene with Precisely Spaced Ethyl Branches

Nozue, Yoshinobu; Seno, Shuichiro; Nagamatsu, Tatsuhiro; Hosoda, Satoru; Shinohara, Yuya; Amemiya, Yoshiyuki; Berda, Erik B.; Rojas, Giovanni; Wagener, Kenneth B.

doi:10.1021/mz300215u

Cited by 23 publications

(27 citation statements)

References 21 publications

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“…Cross-nucleation has been reported in experiments for small organic molecules such as the polymorph-rich organic compound ROY, 9, 16-20 D-mannitol, 11, 21 glycine, 21 and D-sorbitol, 22,23 and -recently -for polymers such as polyethylene 17 and poly(1-butene). 24 Cross-nucleation has also been studied through molecular simulations for LennardJones [25][26][27] and Yukawa 28 crystals, and in methane clathrate a) Author to whom correspondence should be addressed.…”

Section: Introductionmentioning

confidence: 87%

“…5,21,33 A complete picture of how a polymorph can grow on other crystal, or why is one form preferred over the other, is not yet available. 8,17,24,33 Previous studies indicate that faster growth rate of the new crystal is a necessary but not sufficient condition for cross-nucleation. 9,10,16,20 Defects 16 on the seed crystals as well as their crystallographic orientation 11 have been proposed to influence the possibility of cross-nucleation.…”

Section: Introductionmentioning

confidence: 99%

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Cross-nucleation between clathrate hydrate polymorphs: Assessing the role of stability, growth rate, and structure matching

Nguyen

Molinero

2014

The Journal of Chemical Physics

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Cross-nucleation is a phenomenon where a new crystal nucleates and grows upon the surface of a different polymorph. Previous studies indicate that faster growth rate of the new crystal is a necessary but not sufficient condition for cross-nucleation. The thermodynamic stability of the different polymorphs can also affect cross-nucleation by modulating the rates of crystal growth. The interplay between thermodynamic stability of the polymorphs involved, the growth rate of the crystals, and the need for creation of an interfacial transition layer that seamlessly connects the two structures has not yet been fully elucidated. Predicting cross-nucleation is particularly challenging for clathrate hydrates, for which there are sometimes several polymorphs with similar stability and for which growth rates are not known. In this work, we use molecular dynamics simulations to investigate which factor (stability, growth rate, or formation of interfacial transition layer) controls cross-nucleation between the four known Frank-Kasper clathrate hydrate polymorphs: sI, sII, TS, and HS-I. We investigate the growth and cross-nucleation of these four hydrates filled with a set of guest molecules that produce different order of stabilities for the four crystal structures. We determine that the growth rate of sII clathrate is the fastest, followed by TS, HS-I, and sI. We find that cross-nucleation into or from sII clathrates is preceded by the formation of an interfacial transition layer at the seed crystal/liquid interface because sII does not share a crystal plane with sI, HS-I, or TS. Cross-nucleation between the latter three can occur seamlessly and is determined only by their growth rates. Our results indicate that nucleation of an interfacial transition layer between non-matching polymorphs can control cross-nucleation or lack thereof under conditions of small driving force. Under conditions of sufficient supercooling clathrate hydrate polymorphs cross-nucleate into the fastest growing phase even if that new phase is less stable and does not share a common crystal plane with the initial polymorph.

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Section: Introductionmentioning

confidence: 87%

Section: Introductionmentioning

confidence: 99%

Cross-nucleation between clathrate hydrate polymorphs: Assessing the role of stability, growth rate, and structure matching

Nguyen

Molinero

2014

The Journal of Chemical Physics

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“…Two ethyl branches are included in the crystalline structure, which destabilizes the hexagonal phase, causing the nucleation and growth of a spherulite . The resulting crystallite seems to be triclinic …”

Section: Alkyl‐branched Admet–polyethylenementioning

confidence: 99%

Systematic Studies of Morphological Changes of Precision Polyethylene

Few

Wagener

Thompson

2013

Macromol. Rapid Commun.

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The morphological changes of polyethylenes bearing precisely spaced "defects" are reviewed, focusing on the effects of defect frequency, size, and functionality on crystallization and crystalline structure. The precise defect interval is imparted through acyclic diene metathesis polymerization of structurally symmetric diene monomers. Studies have included structural characterization by differential scanning calorimetry, wide-angle X-ray scattering, small-angle X-ray scattering (SAXS), and infrared spectroscopy. The collective results are presented separately for functionalized polyethylenes and for those containing alkyl chain branches, as these two classes of polymers vary greatly in morphology.

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“…More recently, sporadic work on cross‐nucleation in semicrystalline polymers also appeared . Cavallo and Alfonso have shown that many more overlooked examples exist in the polymer crystallization literature .…”

Section: Introductionmentioning

confidence: 99%

“…13 More recently, sporadic work on cross-nucleation in semicrystalline polymers also appeared. 19,20 Cavallo and Alfonso have shown that many more overlooked examples exist in the polymer crystallization literature. [21][22][23] Moreover, systematic extension of a quantitative approach to cross-nucleation to different macromolecules (isotactic poly(1-butene), polypivalolactone and isotactic polypropylene) [23][24][25][26][27][28] allowed us to understand that the nucleation of one polymorph on another can be regarded as a special case of heterogeneous nucleation, unless the parent phase grows at rates comparable to those of the daughter polymorph.…”

Section: Introductionmentioning

confidence: 99%

Differential scanning calorimetry study of cross‐nucleation between polymorphs in isotactic poly(1‐butene)

Wang

Menyhárd

Alfonso

et al. 2018

Polymer International

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BACKGROUND Cross‐nucleation is denoted as the heterogeneous nucleation of a ‘daughter’ polymorph on another pre‐existing (‘parent’) structure of the same substance. Several examples of the phenomenon for semicrystalline polymers have recently been reported. Polarized optical microscopy is commonly used to investigate both the morphology and the kinetics aspects of cross‐nucleation. Hereby, we propose a DSC approach for the quantitative investigation of cross‐nucleation in seeded crystallization. This case study deals with isotactic poly(1‐butene) Form II on Form I nucleation. RESULTS AND CONCLUSION Seeds of the trigonal Form I were produced in situ in poly(1‐butene) samples, their amount and characteristic size being varied by appropriate choice of the thermal protocol. DSC isothermal and non‐isothermal crystallization measurements of Form I seeded samples were performed, highlighting a meaningful nucleation effect of the stable polymorph on Form II. As expected, the nucleating efficiency is highly dependent on the specific content of Form I seeds (i.e. the area of Form I spherulites per unit sample volume). Depending on the seeding and crystallization conditions, Form II crystallization is dominated by nucleation either on foreign heterogeneous surfaces or on Form I crystals. The described quantitative approach can be extended to the study of cross‐nucleation in polymorphic systems in which morphological evidence is not sufficiently informative. © 2018 Society of Chemical Industry

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Cross Nucleation in Polyethylene with Precisely Spaced Ethyl Branches

Cited by 23 publications

References 21 publications

Cross-nucleation between clathrate hydrate polymorphs: Assessing the role of stability, growth rate, and structure matching

Cross-nucleation between clathrate hydrate polymorphs: Assessing the role of stability, growth rate, and structure matching

Systematic Studies of Morphological Changes of Precision Polyethylene

Differential scanning calorimetry study of cross‐nucleation between polymorphs in isotactic poly(1‐butene)

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