Molecular dynamics simulation studies of binary blend miscibility of poly(3-hydroxybutyrate) and poly(ethylene oxide)

Yang, Hua; Li, Ze-Sheng; Qian, Hu-Jun; Yang, Yong‐Biao; Zhang, Xiubin; Sun, Chenglin

doi:10.1016/j.polymer.2003.11.021

Cited by 91 publications

(45 citation statements)

References 41 publications

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“…The above results are consistent with the same analysis on epoxy resin by Wu and Xu [12]. However, Li and coworkers [8,26] also performed the same analysis on polyoxymethylene (POM) system [8] and poly(3-hydroxybutyrate) (PHB)/poly(ethylene oxide) (PEO) blend system [26] and drew a different conclusion from ours: both torsion and nonbond energy played important roles in glass transition. In fact, the freedom of bond stretching and angle bending could be equilibrated fast in the simulation, therefore the linear increasing trend are shown.…”

Section: Role Of the Energy Components In Glass Transition Processsupporting

confidence: 86%

Molecular dynamics simulation on glass transition temperature of isomeric polyimide

Li¹,

Liu²,

Qin³

et al. 2009

Express Polym. Lett.

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It is an abnormal phenomenon that glass transition temperature (Tg) of isomeric polyimide (PI) is higher than its corresponding symmetrical PI. To illustrate this phenomenon at the molecular scale, we applied molecular dynamics method to predict the Tg of PI, which were prepared based on 4,4’-oxydianiline (ODA) and 3,3’,4,4’-biphenyltetracarboxylic dianhydride (3,3’,4,4’-BPDA), and its isomeric system (2,2’,3,3’-BPDA-ODA). Simulation result is consistent with experimental value. Non-bond energy plays an important role in glass transition process, for it has an abrupt change near Tg. The higher free volume fraction of isomeric PI can provide the polymer with more space to obtain segmental motion. However, from the torsion angle distribution calculations, it is shown that the torsion angle of its biphenyl group is constrained. Furthermore, from mean square displacement and vector autocorrelation functions calculations, this group is observed to rotate against other groups in the glassy state, and increases the chain rigidity to a great extent. So the isomeric PI needs much more relaxation time for the segment motion. Therefore, the higher Tg of isomeric PI is mainly attributed to the chain rigidity for the time scale, not the free volume for the space scale

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Section: Role Of the Energy Components In Glass Transition Processsupporting

confidence: 86%

Molecular dynamics simulation on glass transition temperature of isomeric polyimide

Li¹,

Liu²,

Qin³

et al. 2009

Express Polym. Lett.

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“…PEO was chosen as a blending material to stabilize the electrospinning process of PHB/PEO with CHX, as it has been demonstrated that the addition of a small amount of PEO into the solution facilitates the electrospinning process by increasing the solution elasticity [12]. PEO is also miscible with PHB due to the specific interactions of the PHB carbonyl groups with the CH2 groups of PEO [22,23].…”

Section: Fiber Membrane Morphologymentioning

confidence: 99%

PHB-PEO electrospun fiber membranes containing chlorhexidine for drug delivery applications

et al. 2014

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Fiber meshes of poly(hydroxybutyrate) (PHB) and poly(hydroxybutyrate)/ poly(ethylene oxide) (PHB/PEO) with different concentrations of chlorhexidine (CHX) were prepared by electrospinning, for assessment as a polymer based drug delivery system. The electrospun fibers were characterized at morphological, molecular and mechanical levels. The bactericidal potential of PHB and PHB/PEO electrospun fibers with and without CHX was investigated against Escherichia coli (E. coli) and Staphylococcus aureus (S. aureus) by disk diffusion susceptibility tests. Electrospun fibers containing CHX exhibited bactericidal activity. PHB/PEO-1%CHX displayed higher CHX release levels and equivalent antibacterial activity when compared to PHB/PEO with 5 and 10 wt% CHX. Bactericidal performance of samples with 1 wt% http://www.sciencedirect.com/science/article/pii/S0142941813002493 2 CHX was assessed by Colony Forming Units (CFU), where a reduction of 100 % and 99.69 % against E. coli and S. aureus were achieved, respectively.

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“…Testes de biodegradabilidade para as blendas de PHB/PEO indicaram que elas são totalmente biodegradáveis. [66][67][68][69][70] Apesar de vários estudos [66][67][68][69][70][71] ) tem sido utilizado. Zhao et al 72 estudaram blendas de PHB com PEO de alta massa molar (2.0 x 10 5 g mol -1 ) e verificaram que a massa molar do PEO é um importante fator que influencia na miscibilidade dessas blendas.…”

Section: Blendas De Phb Com Polímeros Biodegradáveis Phb/poli(óxido Dunclassified

Blendas de PHB e seus copolímeros: miscibilidade e compatibilidade

Quental¹,

Carvalho²,

Tada³

et al. 2010

Quím. Nova

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Recebido em 12/5/09; aceito em 29/7/09; publicado na web em 8/1/10 BLENDS OF PHB AND ITS COPOLYMERS: MISCIBILITY AND COMPATIBILITY. Poly(hydroxybutyrate) and its copolymers are linear polyesters behaving as conventional thermoplastic materials. However, they are totally biodegradable and produced by a wide variety of bacteria from renewable sources. Some properties and high production cost are still preventing future applications. In an attempt to improve the properties and to reduce cost blending PHB with others polymeric materials is one of the most efficient method. In this paper, miscibility, compatibility, morphological and mechanical aspects of PHB blends will be reviewed. An extensive revision over twenty last years was realized about works of blends based on PHB and its copolymers.Keywords: blends; PHB; miscibility. INTRODUÇÃO Poli(hidroxibutirato) -PHBO PHB e seus copolímeros são produzidos naturalmente por bactérias a partir de fontes renováveis de energia, e são biodegradados por uma enorme quantidade de bactérias e fungos presentes na natureza. 1,2 No Brasil, a produção de PHB foi desenvolvida por uma joint venture entre a Copersucar (Cooperativa dos Produtores de Canade-açúcar do Estado de São Paulo), o IPT (Instituto de Pesquisas Tecnológicas) e pelo ICB (Instituto de Ciências Biomédicas da USP).3,4 A produção de PHB, encontrou condições excepcionalmente favoráveis no Brasil devido às características da indústria de açúcar e álcool, bastante desenvolvida durante o programa PROALCOOL. A disposição de açúcar a baixos preços e grandes quantidades, que é utilizado como substrato para o crescimento das bactérias do PHB, é uma das principais características que favorecem a produção desse polímero.De 1995 a 2000, a primeira produção em planta piloto do PHB no Brasil, utilizando o processo Copersucar-IPT-ICB, foi realizada na usina de açúcar e álcool Usina da Pedra. Os principais objetivos dessa planta piloto foram testar a viabilidade do processo, desenvolvê-lo e realizar uma avaliação econômica do custo de produção de PHB. 4 Em 2000, a produção comercial de PHB se iniciou com a criação da empresa PHB Industrial, em Serrana, próxima à Usina da Pedra. 4 A produção de PHB pela PHB Industrial é a única produção industrial de PHB a partir de cana-de-açúcar e integrada em usina sucroalcooleira. Essa empresa opera desde 2005 com uma planta de capacidade máxima de 60 toneladas de PHB por ano. "Enquanto na Europa, o PHB é produzido a US$10-20,00/kg, no Brasil esses custos estão entre US$2,5-5,00/kg (...)".3 No entanto, esse preço ainda é muito superior aos preços dos polímeros sintéticos da indústria petroquímica, o que desestimula a ampla comercialização do PHB.A biodegradabilidade não pode ser o único atrativo no PHB ou em qualquer polímero biodegradável. Para ser aceito em larga escala, estes polímeros têm de possuir os atrativos dos termoplásticos convencionais como: (i) suprir a demanda do mercado, ou seja, ser produzido em grande quantidade; (ii) correta compostagem para preservar a sua biodegradação; (iii)...

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Molecular dynamics simulation studies of binary blend miscibility of poly(3-hydroxybutyrate) and poly(ethylene oxide)

Cited by 91 publications

References 41 publications

Molecular dynamics simulation on glass transition temperature of isomeric polyimide

Molecular dynamics simulation on glass transition temperature of isomeric polyimide

PHB-PEO electrospun fiber membranes containing chlorhexidine for drug delivery applications

Blendas de PHB e seus copolímeros: miscibilidade e compatibilidade

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