Thin-film polymerization and ‘RIS’ Metropolis Monte Carlo simulation of fluorinated aromatic copoly(ester–amide)s

Teoh, May May; Chung, Tai‐Shung; Schiraldi, David A.; Cheng, Si‐Xue

doi:10.1016/j.polymer.2005.03.028

Cited by 7 publications

(5 citation statements)

References 30 publications

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“…Typically, ABA/MH/TFTA with para-linkage is predicted to have a higher persistence length and persistence ratio than the ABA/AAA/TFIA (meta) system. [21][22]30 The simulated results do support the above hypothesis. One plausible explanation is due to the fact that the reactivity and chain straightness of TFTA are higher than those of TFIA units, which may result in some bulkiness in the polymer chain.…”

Section: Resultssupporting

confidence: 68%

“…In this study, the calculated persistence ratios for the 70/15/15 mol % ABA/MH/TFTA and ABA/MH/TFIA are 9.36 and 7.02, respectively, is evidence to prove the LC characteristics. Typically, ABA/MH/TFTA with para - linkage is predicted to have a higher persistence length and persistence ratio than the ABA/AAA/TFIA (meta) system. −, The simulated results do support the above hypothesis. One plausible explanation is due to the fact that the reactivity and chain straightness of TFTA are higher than those of TFIA units, which may result in some bulkiness in the polymer chain.…”

Section: Resultsmentioning

confidence: 64%

“…The sample was held at the desired temperature for 2 h. The PLM micrographs were further analyzed by imaging software (Image-Pro Plus 3.0). The detailed description of experimental procedures for the in-situ thin film polymerization has been published elsewhere. ,− …”

Section: Methodsmentioning

confidence: 99%

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Surface Microcracks Decoration and Disclination Defects of Wholly Aromatic Liquid Crystalline Copolyesters

2006

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An intensive study has been conducted to map the director fields of disclination of nematic liquid crystalline copolyesters. In this study, films of two wholly aromatic main-chain polyesters containing para- (ABA/MH/TFTA) and meta-linkages (ABA/MH/TFIA) (ABA, p-acetoxybenzoic acid; MH, maleic hydrazine; TFTA, tetrafluoroterephthalic acid; TFIA, tetrafluoroisophthalic acid) were synthesized to investigate the effects of kinks on liquid crystallinity, disclination strength (S), and surface microcracks decoration. These two copolyesters were prepared by in-situ thin film polymerization and characterized by polarizing light microscope, wide-angle X-ray diffraction, as well as "rotational isomeric states" (RIS) Metropolis Monte Carlo (RMMC) simulation. An optical microscope shows that the surface microcracks forms in the nematic-mosaic texture during a rapid quenching. The ABA/MH/TFTA film exhibits disclination strength with S = +1 and S = -(1)/(2); however, disclination strengths with S = +/-1 have been observed in the ABA/MH/TFIA system. To our best knowledge, this is the first paper reporting the effects and evidence of kink (meta and para moieties) on topological defect of disclination. In addition, the RMMC analysis supports the liquid crystal formation in both polyester films with a persistence ratio greater than 6.42.

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Section: Resultssupporting

confidence: 68%

Section: Resultsmentioning

confidence: 64%

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Surface Microcracks Decoration and Disclination Defects of Wholly Aromatic Liquid Crystalline Copolyesters

2006

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“…The RMMC method has been implemented for the simulation of polymers with a variety of structural repeating units 4–12. These simulations have looked at the characteristic ratios C n and persistence lengths ( L p ) of liquid crystalline polyesters (LCPEs)4 containing the dihydroxy‐α‐methylstilbene (DHαMS) fragment, and on VECTRA™ A900 (a commercial LCPE).…”

Section: Introductionmentioning

confidence: 99%

“…The dependence of the characteristic ratios on the cut‐off limit was also found to be different in the calculations with the modified and original polymer consistent force field (PCFF). More recent studies have looked at liquid‐crystalline polyesters,10 and aromatic copoly(ester‐amide)s,11 poly(methacrylate)s containing side‐groups and side‐chains under theta condition 12…”

Section: Introductionmentioning

confidence: 99%

Molecular simulations of the conformational properties of atactic poly(2‐ethylbutyl methacrylate)

Karyappa

Natarajan

2012

J of Applied Polymer Sci

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RIS Metropolis Monte Carlo (RMMC) simulations were used to determine the unperturbed theta-state chain dimensions of atactic stereoconfigurations of poly (2-ethylbutyl methacrylate) [PEBMA]. Root mean-squared end-to-end distance (hr 2 i o /M) 1/2 and characteristic ratio (C n ) were calculated along with the backbone torsion angle distribution. The simulated properties are in very good agreement with experimental results. The values of the PEBMA chain dimensions are in-between those corresponding ones for poly(n-butyl methacrylate) and poly (n-hexyl methacrylate) thereby showing the effect of branching in the side-chain. V C 2012 Wiley Periodicals, Inc. J Appl Polym Sci 125: 1586-1591, 2012

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The effects of para-, meta- and ortho-monosubstituted azobenzene moiety in the side chain on phase behavior of mesogen-jacketed liquid crystalline polymers

Yang

Xie

Zhong

et al. 2013

Polymer

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Thin-film polymerization and ‘RIS’ Metropolis Monte Carlo simulation of fluorinated aromatic copoly(ester–amide)s

Cited by 7 publications

References 30 publications

Surface Microcracks Decoration and Disclination Defects of Wholly Aromatic Liquid Crystalline Copolyesters

Surface Microcracks Decoration and Disclination Defects of Wholly Aromatic Liquid Crystalline Copolyesters

Molecular simulations of the conformational properties of atactic poly(2‐ethylbutyl methacrylate)

The effects of para-, meta- and ortho-monosubstituted azobenzene moiety in the side chain on phase behavior of mesogen-jacketed liquid crystalline polymers

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