氧和水是从头合成的关键因素，在管式炉中用模拟灰研究了氧形态和水对从头合成二恶英的影响。试验结果表明，水和CuO中的氧均不能参与到二恶英的从头合成反应中，而O2的加入可极大的促进二恶英的从头合成。O2由催化剂Cu2Cl2传递到固相的主要途径可能是：O2与Cu2Cl2合成络合物，络合物氧化炭的同时被还原为Cu2Cl2。实验发现水的存在可以强烈抑制二恶英的从头合成。水和飞灰中的CuCl2和Cu2OCl2反应生成不具有催化作用的CuO是水抑制从头合成二恶英的主要机制。

O and H2O are two of the key parameters for polychlorinated dibenzo-p-dioxins (PCDDs) and dibenzofurans (PCDFs) formation. The effects of oxygen speciation and H2O on the de novo synthesis of PCDD/Fs were studied in a tubular oven with model fly ashes. The experimental results show that the O from H2O and CuO do not take part in de novo reactions, but the addition of O2 promotes formation of PCDD/Fs strongly. The principal transportation pathway of O2 to solid phase is as follows: Cu2Cl2 reacts with O2 to form a kind of complex. The complex oxidizes the carbon and is reduced to Cu2Cl2. In experiments, H2O inhibited the formation of PCDD/Fs strongly. Conversion of CuCl2 and Cu2OCl2 in the fly ash to CuO which is unreactive in de novo synthesis is concluded to be the main suppressant mechanism.

国家高技术研究发展计划项目(863计划)(2007AA061302，2007AA06Z336)；国家自然科学基金项目(50576082)；浙江省重大科技专项项目(2007C13084)；浙江省科技计划项目(2008C23090)。