Molecular mechanics investigation of some acrylic polymers using SPASIBA force field

Bensaid, M.O.; Ghalouci, L.; Hiadsi, S.; Lakhdari, F.; Benharrats, Nassira; Vergoten, Gérard

doi:10.1016/j.vibspec.2014.07.001

Cited by 20 publications

(14 citation statements)

References 67 publications

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“…Band assignments for specific groups in PMMA, PVC, PMMA/PVC blends have been already reported in the literature [12,14,[18][19][20][21][22][23]. Regarding to some different assignments, Table 2 presents band assignments for PMMA/PVC blends which are based on previous theoretical and experimental studies on neat PMMA, PVC [24][25][26][27][28][29][30], in combination with our experimental FTIR study. In spectra of PMMA/PVC blends, some peaks are unchanged in comparison with neat PMMA and neat PVC, however, some bands are overlapped or absent and shifted to another positions.…”

Section: Groups Assignments and Molecular Interactions In Pmma/pvc Blendsmentioning

confidence: 74%

PREPARATION AND FTIR STUDIES OF PMMA/PVC POLYMER BLENDS, PVC-g-PMMA GRAFT COPOLYMERS AND EVALUATING GRAFT CONTENT

Tham

Thi

Hoàng

et al. 2019

JST

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This study presents the qualitative and quantitative analyses of Fourier Transform Infrared (FTIR) spectra of poly(methyl methacrylate)/poly(vinyl chloride) blends (PMMA/PVC), as well as PVC-g-PMMA graft copolymers. Graft copolymerizations of methyl mathacrylate (MMA) onto PVC macromolecules were carried out mixture of cyclohexanone/N,N-dimethylformamide as solvents, dibenzoyl peroxide as initiator and nitrogen medium. FTIR spectra of PMMA/PVC blends showed that there were molecular interactions between C=O groups of PMMA and C-Cl groups of PVC. Assignments of infrared absorption bands for specific groups of PMMA/PVC blends have been contributed. Using regression method, linear calibration curve between PMMA mole content and peak areas of C=O groups in FTIR spectra of the blends has been found when C=O peak areas were multiplied by an appropriate factor. PMMA grafted content and total PMMA formed content in PVC-g-PMMA graft copolymers have been evaluated. The results showed that grafted PMMA content was increased since PVC was initiatly dechlorinated by NaOH solution. The grafted PMMA content and total formed PMMA content were 5.05 wt.% and 11.25 wt.% respectively when MMA monomers were grafted onto neat PVC and modified PVC molecules.

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Section: Groups Assignments and Molecular Interactions In Pmma/pvc Blendsmentioning

confidence: 74%

PREPARATION AND FTIR STUDIES OF PMMA/PVC POLYMER BLENDS, PVC-g-PMMA GRAFT COPOLYMERS AND EVALUATING GRAFT CONTENT

Tham

Thi

Hoàng

et al. 2019

JST

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“…SFSB oil under thermal treatment reduced the acyl chain R 1 –C(R 2 )=O vibrational band intensity at 1324 cm −1 (see Fig. 1 D) 32 , 33 . Additionally, the C-O stretching vibration shifts from 1296 to 1284 cm −1 under thermal treatment (Fig.…”

Section: Resultsmentioning

confidence: 96%

Influence of spin finish on degradation, functionalization and long-term storage of polyethylene terephthalate fabrics dedicated to ligament prostheses

Nguyễn

Rangel

Grainger

et al. 2021

Sci Rep

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Polyethylene terephthalate (PET) fibers and fabrics are widely used for medical device applications such as vascular and anterior cruciate ligament prostheses. Several years ago, we began functionalizing PET fabrics using anionic polymers to enhance their biocompatibility, cell adhesion, proliferation and functional performance as PET ligament prostheses. Polymer functionalization followed a grafting-from process from virgin PET surfaces subject to spin-finish oil additive removal under Soxhlet extraction to remove residual fiber manufacturing oil. Nevertheless, with increasing time from manufacture, PET fabrics stored without a spin finish removal step exhibited degradation of spin finish oil, leading to (1) incomplete surface cleaning, and (2) PET surface degradation. Moreover, oxidizing agents present in the residual degraded oil prevented reliable functionalization of the prosthesis fibers in these PET fabrics. This study compares effects of PET fabric/spin finish oil storage on PET fabric anionic polymer functionalization across two PET fabric ligament storage groups: (1) 2- and 10- year old ligaments, and (2) 26-year old ligaments. Strong interactions between degraded spin finish oil and PET fiber surfaces after long storage times were demonstrated via extraction yield; oil chemistry changed assessed by spectral analysis. Polymer grafting/functionalization efficiency on stored PET fabrics was correlated using atomic force microscopy, including fiber surface roughness and relationships between grafting degree and surface Young’s modulus. New PET fabric Young’s modulus significantly decreased by anionic polymer functionalization (to 96%, grafting degree 1.6 µmol/g) and to reduced modulus and efficiency (29%) for 10 years storage fabric (grafting degree ~ 1 µmol/g). As fiber spin finish is mandatory in biomedically applicable fiber fabrication, assessing effects of spin finish oil on commercial polymer fabrics after longer storage under various conditions (UV light, temperature) is necessary to understand possible impacts on fiber degradation and surface functionalization.

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“…The FTIR spectra are the powerful tool to analyze the structure of B\ \O network and are influenced by the addition of dopant ions. The absorption band around 3426 cm −1 is due to the presence of OH group and the peak centered at around 2854 and 2923 cm −1 is attributed to the presence of organic contaminants in the prepared glasses [17]. The broad band observed in the region 1200-1650 cm −1 consists of sub-bands centered at 1620, 1384, and 1244 cm −1 which gives information about the presence of different linkages of BO 3 units in ortho and pyroborate groups.…”

Section: Resultsmentioning

confidence: 99%

Investigations on structural and luminescence behavior of Er3+ doped Lithium Zinc borate glasses for lasers and optical amplifier applications

Annapoorani

Basavapoornima

Murthy

et al. 2016

Journal of Non-Crystalline Solids

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Molecular mechanics investigation of some acrylic polymers using SPASIBA force field

Cited by 20 publications

References 67 publications

PREPARATION AND FTIR STUDIES OF PMMA/PVC POLYMER BLENDS, PVC-g-PMMA GRAFT COPOLYMERS AND EVALUATING GRAFT CONTENT

PREPARATION AND FTIR STUDIES OF PMMA/PVC POLYMER BLENDS, PVC-g-PMMA GRAFT COPOLYMERS AND EVALUATING GRAFT CONTENT

Influence of spin finish on degradation, functionalization and long-term storage of polyethylene terephthalate fabrics dedicated to ligament prostheses

Investigations on structural and luminescence behavior of Er3+ doped Lithium Zinc borate glasses for lasers and optical amplifier applications

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