Oxidation of waterborne organic compounds by gas-phase pulsed corona discharge (PCD) provides substantial energy efficiency benefits. Surfactant sodium dodecyl sulphate (SDS) alters the energy efficiency of oxidation providing decelerating, neutral or accelerating effect. Determining the causal connection between the pollutant's molecular structure and the effect of SDS addition presents the research objective. Computational chemistry Spartan 14 1.1.4 software was used for modelling of SDS molecule interaction with selected textile dyes and pharmaceuticals with subsequent verification in PCD treatment experiments. Effects of SDS addition were predicted for acid orange 7, indigotetrasulfonate, paracetamol and indomethacin and confirmed experimentally.

通过气相脉冲电晕放电（PCD）氧化水性有机化合物可显着提高能源效率。表面活性剂十二烷基硫酸钠（SDS）改变了氧化的能量效率，从而提供了减速，中性或加速作用。确定污染物的分子结构与SDS添加效果之间的因果关系是本研究的目标。计算化学Spartan 14 1.1.4软件用于模拟SDS分子与选定的纺织染料和药物的相互作用，随后在PCD处理实验中进行验证。可以预测加入SDS对酸性橙7，靛蓝四磺酸盐，对乙酰氨基酚和消炎痛的影响，并通过实验证实。