Gas phase reaction of elemental mercury with some products of ozone-water reaction: Acomputational study

Atmospheric elemental mercury with average lifetime of 0.5 – 2 yearsis removed through dry and wet deposition processes. Ozone-mercuryreaction and the effect of relative humidity can be studied in view ofozone and water react with each other and produce some oxidizingagents, then mercury reacts with these species. Slow gas phasehomogeneous reaction of O3 with water molecule can producehydrogen peroxide (H2O2) and hydrogen tetroxide (HTO) (H2O4)which are well known as oxidizing agents[1-5]. In this work, thereaction of mercury with product of water-ozone reaction has beenstudied thermodynamically and kinetically. From this investigation weconclude presence of water molecule can accelerate deposition ofHg0(g) by producing some oxidizing agents through reaction with O3 .