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

李雪; 赵阳; 高金津; 李微微; 王树博; 谢晓峰

doi:10.11949/j.issn.0438-1157.20160710

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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

材料化学工程与纳米技术 | 更新时间：2025-12-10

- 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
- Synthesis, characterization, simulation of 4-styrenesulfonyl chloride and its application in preparation of proton exchange membrane through radiation induced grafting
- 化工学报 2016年第S1期页码：390-395
- 作者机构：
  
  1. 清华大学核能与新能源技术研究院,北京,100084
  2. 燕山大学材料科学与工程学院,河北,秦皇岛,066004
- 作者简介：
- 基金信息：
- DOI：10.11949/j.issn.0438-1157.20160710
  中图分类号： M911.4
- 网络首发：2016-08-31，
  
  纸质出版：2016-08-31
- 稿件说明：
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李雪, 赵阳, 高金津, 等. 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[J]. 化工学报, 2016,(S1):390-395.

LI Xue, ZHAO Yang, GAO Jinjin, et al. Synthesis, characterization, simulation of 4-styrenesulfonyl chloride and its application in preparation of proton exchange membrane through radiation induced grafting[J]. CIESC Journal, 2016, (S1): 390-395.
李雪, 赵阳, 高金津, 等. 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[J]. 化工学报, 2016,(S1):390-395. DOI： 10.11949/j.issn.0438-1157.20160710.

LI Xue, ZHAO Yang, GAO Jinjin, et al. Synthesis, characterization, simulation of 4-styrenesulfonyl chloride and its application in preparation of proton exchange membrane through radiation induced grafting[J]. CIESC Journal, 2016, (S1): 390-395. DOI： 10.11949/j.issn.0438-1157.20160710.

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（1H NMR）和核磁共振碳谱（13C 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20 Gy·min-1和40 Gy·min-1条件下膜的室温质子传导率分别为45.74 mS·cm-1和47.46 mS·cm-1，20 Gy·min-1条件下制备的质子交换膜其传导率在75℃时可达84.56 mS·cm-1。

Abstract

4-Styrenesulfonyl chloride was synthesized successfully and characterized by FTIR

1H NMR and 13C NMR spectra. Quantum chemistry calculation based on density functional theory was carried out for this synthesized monomer

and the Mulliken population analysis showed that 4-styrenesulfonyl chloride possess comparative charge distribution to styrene

which is commonly used as graft monomer in the preparation of proton exchange membrane

indicating that 4-styrenesulfonyl chloride is possible to be used as graft monomer. Fukui function of 4-styrenesulfonyl chloride declared that the alpha carbon of the vinyl is susceptible to electrophilic attack while the beta carbon showed higher reactivity with respect to nucleophilic and radical attack. Radiation induced graft polymerization of 4-styrenesulfonyl chloride on to FEP film was taken under 60Co gamma rays. After hydrolysis with KOH

H2SO4 solution and rinsing by deionized water to neutral

the membrane turned into proton conductive. The conductivities of these membrane are in accordance with the graft yield and increase with temperature. Conductivity of the membrane with does rate of 20 Gy·min-1 reached 84.56 m S·cm-1 at 348 K.

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