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苯乙烯磺酰氯的理論模擬及用于輻照接枝法制備質(zhì)子交換膜

發(fā)布時(shí)間:2018-07-31 12:35
【摘要】:合成了用于輻照接枝制備質(zhì)子交換膜的對(duì)苯乙烯磺酰氯單體,并采用紅外光譜(FTIR)、核磁共振氫譜(1 H NMR)和核磁共振碳譜(13 C NMR)對(duì)其結(jié)構(gòu)進(jìn)行了表征分析,分析結(jié)果表明:成功得到了目標(biāo)產(chǎn)物對(duì)苯乙烯磺酰氯。基于密度泛函的量子化學(xué)方法對(duì)合成的單體進(jìn)行了理論模擬,結(jié)果表明該單體具有與苯乙烯一致的電荷分布,乙烯基α碳位易發(fā)生親電反應(yīng),β碳位易發(fā)生親核反應(yīng)和自由基反應(yīng)。采用輻射接枝聚合的方法,將對(duì)苯乙烯磺酰氯單體接枝到聚全氟乙丙烯薄膜基材上并通過(guò)后處理制備用于燃料電池的質(zhì)子交換膜,結(jié)果表明膜的質(zhì)子傳導(dǎo)率與接枝率正相關(guān),在20Gy·min~(-1)和40Gy·min~(-1)條件下膜的室溫質(zhì)子傳導(dǎo)率分別為45.74mS·cm~(-1)和47.46mS·cm~(-1),20Gy·min~(-1)條件下制備的質(zhì)子交換膜其傳導(dǎo)率在75℃時(shí)可達(dá)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 偽 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,

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