对离子电池更安全的电解质进行化学危险评估
Branden Schwaebe1, Haoyang He1, Christopher Glaubensklee1
1Department of Materials Science and Engineering, University of California, Irvine, California, USA.
Integrated environmental assessment and management
|June 5, 2024
概括
这项研究评估了103种离子电池电解质化学物质的危险性. 盐,过电添加剂和阻燃剂是最有毒的,而碳酸盐,和则构成易燃性风险.
科学领域:
- 环境化学环境化学
- 毒理学 毒理学 毒理学
- 材料科学 材料科学 材料科学
背景情况:
- 可充电离子 (Li-ion) 电池对于便携式电子产品和电动汽车至关重要.
- 不断发展的离子电池技术引入了高风险的液体电解质化学品.
- 缺乏对这些化学品的物理,环境和人类健康危害的批判性评估.
研究的目的:
- 对离子电池电解质组件进行全面的化学危险评估 (CHA).
- 为了确定离子电池电解质中最危险的化学组.
- 探索预测模型的实用性和危险评估中的结构相似性.
主要方法:
- 在危害评估中采用了绿色屏幕对更安全化学品的方法.
- 在七个类别中评估了103种电解质化学物质:盐,碳酸盐,,,硫氧化物-硫酸盐-硫,过电保护添加剂和阻燃添加剂.
- 采用六个数据源 (实证和预测) 和结构相似性分析 (ChemMine,简化的分子输入线输入系统) 来解决数据缺口.
主要成果:
- 盐,过电保护添加剂和阻燃添加剂被确定为最有毒的成分.
- 碳酸盐,和被发现是导致可燃性危险的主要因素.
- 定量结构-活动关系模型在尽量减少CHA中的数据差距和不一致性方面被证明是有价值的.
结论:
- 该研究强调了与特定的离子电池电解质组件相关的重大危险.
- 这些发现强调了对电池电解质更安全的化学设计的需要.
- 建议对预测建模和结构分析进行补充使用,以进行可靠的化学危险评估.
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