Absorbing volatile organic compounds discharged during thermal dismantling of waste printed circuit boards using ionic liquids——based on COSMO-RS model
WU Jin1,2, ZHANG Cheng-long1,2, WANG Rui-xue1,2, MA En1,2, WU Liang3, BAI Jian-feng1,2, WANG Jing-wei1,2
1. Research Center of Resource Recycling Science and Engineering, Shanghai Polytechnic University, Shanghai 201209, China;
2. Shanghai Collaborative Innovation Centre for WEEE Recycling, Shanghai Polytechnic University, Shanghai 201209, China;
3. Department of Physics, Shanghai University, Shanghai 200444, China
Simulated thermal dismantling of WPCB (waste printed circuit boards) was carried out and VOCs (volatile organic compounds) discharged during this processwere analyzed. COSMO-RS (conductor-like screening model for real solvent) model was used to predict the solubility of VOCs with higher concentration by quantum chemistry simulation, study the influence of ILs (ionic liquids)' components andthe leading interaction energy during the absorbing process, and determine the suitable absorbents. The solubilityin different solvents were experimented to verify the potential utilization of COSMO-RS model. The results showed that:①ethyl acetate and cyclopentanonewere two main substances with higher concentration. The concentration was 43.1,153mg/m3 and 105, 252mg/m3, and the total concentration percentage was 76.3% and 67.3%under 240 and 250℃, respectively.②Higher σ-profile peak, longer cations and anions alkyl chain length and the existence of electrophilic group could increase the solubility of these two compounds. NTf2-based ILs were chosen as excellent absorbents. Misfit and van de Waal energy played the leading roleduring the absorbing process. ③COSMO-RS model couldbe used to predict the solubility of ethyl acetate and cyclopentanone qualitatively and semi-quantitatively.
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