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Synthesis of Poly (styrene-block-vinyl alcohol) by Successive Photo-Induced Charge Transfer Polymerization and Molecular Dynamics Simulation of its Compatibility for the Blend System

机译:连续光诱导的电荷转移聚合合成聚苯乙烯嵌段乙烯醇及其与共混体系相容性的分子动力学模拟

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In the present work, a rapid and novel route to prepare a diblock copolymer consisting of styre,ne and vinyl acetate (VAC) units was performed by successive photoinduced charge-transfer polymerization. (CTP) under UV irradiation, and then a series of objective products PSm-b-PVA(n) bearing different ratios of PS,and PVA was obtained by the hydrolysis of PSm-b-PVAC(n) with sodium ethoxide as the catalyst. Additionally, the influences of the reaction time, concentration of monomer and photoinitiator and kinetics of copolymerization were investigated. Good linear relationships of In([St] (0)/[St]) and In([VAc](0)/[VAc]) with the polymerization time indicated a first-order control/living' process. The copolymers were characterized in detail by means of Fourier transform infrared (IR) spectrometry, H-1 NMR and gel permeation chromatography (GPC). Furthermore, the miscibility of the originally incompatible blend system was improved quite significantly, so a full atomistic molecular dynamics simulation was applied to discuss the binary and ternary systems through the Flory-Huggins parameters, enthalpy of mixing and T-g.
机译:在本工作中,通过连续的光诱导电荷转移聚合反应,可以快速而新颖地制备由苯乙烯,ne和乙酸乙烯酯(VAC)单元组成的二嵌段共聚物。 (CTP)在紫外线照射下,然后通过乙醇钠作为催化剂水解PSm-b-PVAC(n),得到一系列具有不同PS比的目标产物PSm-b-PVA(n)。 。此外,研究了反应时间,单体和光引发剂的浓度以及共聚动力学的影响。 In([St](0)/ [St])和In([VAc](0)/ [VAc])与聚合时间的良好线性关系表明是一阶控制/活性过程。借助于傅立叶变换红外(IR)光谱,H-1 NMR和凝胶渗透色谱法(GPC)对共聚物进行了详细表征。此外,原本不相容的共混体系的可混溶性也得到了显着改善,因此通过Flory-Huggins参数,混合焓和T-g对原子和二元体系进行了完整的原子分子动力学模拟。

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