摘要
The widespread use of plastic waste has caused significant environmental pollution,becoming a focal point of global concern,particularly the challenge of dechlorination in mixed plastic waste.Selective dissolution is a promising plastic chemical recycling technology that offers benefits such as simple processes,convenient operation,and recyclable solvents.However,selecting suitable solvents remains a challenge.This study establishes a virtual solvent database containing 530 common inorganic and organic solvents.By calculating theσ-profile of polyvinyl chloride(PVC)and polyethylene(PE)models using quantum mechanical calculations and employing the conductor-like screening model for real solvents(COSMO-RS)method,the solubility performance of these solvents for PVC and PE at different temperatures was predicted.The results demonstrate the high accuracy of the COSMO-RS method in predicting solubility.By comparing the solubility differences between PVC and PE in different solvents,a series of solvents suitable for selectively removing PVC from mixed plastics were identified,for example,N-methyl-2-pyrrolidone(NMP),dimethyl sulfoxide(DMSO),tetrahydrofuran(THF),and N,Ndimethylacetamide(DMAc).This method provides a novel solution to the solvent selection challenge in plastic chemical recycling,potentially shortening the research and development period,reducing experimental costs,and promoting the development of green and refined waste plastic recycling processes.
基金
financially supported by SINOPEC Research Institute of Petroleum Processing Co.,Ltd.
the National Natural Science Foundation of China(22302220)
the Shanxi Province Science Foundation for Youth(202203021222403)
Funding support was also received from the Synfuels China Co.,Ltd.
the Institute of Coal Chemistry,Chinese Academy of Sciences。
