苯乙烯磺酰氯的理论模拟及用于辐照接枝法制备质子交换膜
发布时间：2018-07-31 12:35
【摘要】：合成了用于辐照接枝制备质子交换膜的对苯乙烯磺酰氯单体,并采用红外光谱(FTIR)、核磁共振氢谱(1 H NMR)和核磁共振碳谱(13 C NMR)对其结构进行了表征分析,分析结果表明:成功得到了目标产物对苯乙烯磺酰氯。基于密度泛函的量子化学方法对合成的单体进行了理论模拟,结果表明该单体具有与苯乙烯一致的电荷分布,乙烯基α碳位易发生亲电反应,β碳位易发生亲核反应和自由基反应。采用辐射接枝聚合的方法,将对苯乙烯磺酰氯单体接枝到聚全氟乙丙烯薄膜基材上并通过后处理制备用于燃料电池的质子交换膜,结果表明膜的质子传导率与接枝率正相关,在20Gy·min~(-1)和40Gy·min~(-1)条件下膜的室温质子传导率分别为45.74mS·cm~(-1)和47.46mS·cm~(-1),20Gy·min~(-1)条件下制备的质子交换膜其传导率在75℃时可达84.56mS·cm~(-1)。
[Abstract]:P-styrene-sulfonyl chloride monomer was synthesized by irradiation grafting to prepare proton exchange membrane, and its structure was characterized by (FTIR), 1H NMR (1 H NMR) and NMR carbon spectroscopy (13 C NMR). The results show that the target product, p-styrene-sulfonyl chloride, has been successfully obtained. The theoretical simulation of the synthesized monomer based on the density functional quantum chemical method shows that the monomer has a charge distribution consistent with that of styrene. Vinyl 伪 carbon site is prone to electrophilic reaction, 尾 carbon site is prone to nucleophilic reaction and free radical reaction. The proton exchange membranes for fuel cells were prepared by radiation grafting polymerization of styrene sulfonyl chloride monomer onto the perfluoroethylene propylene film substrate. The results showed that the proton conductivity of the membranes was positively correlated with the graft rate. At room temperature, the proton conductivities of the membranes prepared at 20Gy min-1 and 40Gy min-1 were 45.74mS cm-1 and 47.46mS cm-1, respectively. The conductivity of the membranes was up to 84.56mS cm-1 at 75 鈩，
本文编号：2155602
[Abstract]:P-styrene-sulfonyl chloride monomer was synthesized by irradiation grafting to prepare proton exchange membrane, and its structure was characterized by (FTIR), 1H NMR (1 H NMR) and NMR carbon spectroscopy (13 C NMR). The results show that the target product, p-styrene-sulfonyl chloride, has been successfully obtained. The theoretical simulation of the synthesized monomer based on the density functional quantum chemical method shows that the monomer has a charge distribution consistent with that of styrene. Vinyl 伪 carbon site is prone to electrophilic reaction, 尾 carbon site is prone to nucleophilic reaction and free radical reaction. The proton exchange membranes for fuel cells were prepared by radiation grafting polymerization of styrene sulfonyl chloride monomer onto the perfluoroethylene propylene film substrate. The results showed that the proton conductivity of the membranes was positively correlated with the graft rate. At room temperature, the proton conductivities of the membranes prepared at 20Gy min-1 and 40Gy min-1 were 45.74mS cm-1 and 47.46mS cm-1, respectively. The conductivity of the membranes was up to 84.56mS cm-1 at 75 鈩，
本文编号：2155602
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