Data resulting from the study for addressing unresolved complex mixture of I/SVOCs emitted from incomplete combustion of solid fuels by nontarget analysis

This study addressed the chemical complexity of unresolved complex mixture by employing two-dimensional gas chromatography−time-of-flight mass spectrometry. Previously unresolved complex mixture in I/SVOCs was effectively reduced by nontarget analysis. Furthermore, secondary organic aerosol production can be accurately predicted via the highly identified I/SVOCs compounds basing on their volatility distributions, which were obtained from comprehensive analyses of I/SVOCs. These results suggest that nontarget analysis developed herein significantly improves the accuracy of I/SVOCs estimates used in identifying chemical compounds and environmental impacts.

本研究采用二维气相色谱-飞行时间质谱（two-dimensional gas chromatography−time-of-flight mass spectrometry），针对未解析复杂混合物（unresolved complex mixture）的化学复杂性开展研究。此前，通过非靶标分析（nontarget analysis）可有效降低I/SVOCs中未解析复杂混合物的占比。进一步而言，基于对I/SVOCs的全面分析得到的挥发性分布，结合经高可信度鉴定的I/SVOCs组分，可精准预测二次有机气溶胶（secondary organic aerosol, SOA）的生成量。研究结果表明，本文开发的非靶标分析方法可显著提升用于化学组分鉴定与环境影响评估的I/SVOCs定量估算精度。