【摘 要】
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The homogeneous nucleation of three gases,NO2,H2O,and NH3,to form NH4NO3 aerosols and HONO gas is proposed to be a new significant source of atmospheric HON
【机 构】
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DepartmentofChemistryandBiochemistry,CaliforniaStateUniversity,Fullerton,CA92834
【出 处】
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第五届国际理论化学、分子模拟和生命科学研讨会
论文部分内容阅读
The homogeneous nucleation of three gases,NO2,H2O,and NH3,to form NH4NO3 aerosols and HONO gas is proposed to be a new significant source of atmospheric HONO.Four reaction pathways are examined by density functional theory calculations of various complexes of reactants and products involved.NH3 is shown to play a critical role in lowering the Gibbs free energy barrier and stabilizing the HNO3 product by forming particulate ammonium nitrate.In conclusion,the system of gaseous NO2,H2O,and NH3 is expected to undergo a spontaneous homogeneous nucleation process,which is likely an important source of nighttime atmosphericHONO concentrations.
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