On concentration distribution of small water vapor complexes within the reactions of chemical kinetics

Small sets of chemical kinetics equations for reactions with the water monomers and dimers are solved. Equilibrium complex concentration distribution as a function of the complex dimension at the number of monomers in a complex up to 10 shows a nonmonotonic form for some values of the total monomer unit number and reaction rates with tetramers and dimers.

[1]  S. H. Bauer,et al.  Thermochemical and kinetic parameters for hydrogen bonded clusters, derived from avalanche condensation flux measurements , 2000 .

[2]  S. H. Bauer,et al.  Kinetic mechanism for condensation from supersaturated vapors that incorporate high levels of dimers , 1999 .

[3]  I. V. Ptashnik,et al.  Pure water vapor continuum measurements between 3100 and 4400 cm−1: Evidence for water dimer absorption in near atmospheric conditions , 2007 .

[4]  B. C. Garrett,et al.  Dynamical nucleation theory: Calculation of condensation rate constants for small water clusters , 1999 .

[5]  Tatyana E. Klimeshina,et al.  Water vapor cluster formation within the framework of chemical kinetics , 2019, Atmospheric and Ocean Optics.

[6]  Yi Ming,et al.  Free energy perturbation study of water dimer dissociation kinetics. , 2004, The Journal of chemical physics.

[7]  Olga B. Rodimova,et al.  Chemical kinetics equations describing water complex formations , 2018, Atmospheric and Ocean Optics.

[8]  D. Newnham,et al.  Laboratory measurements of water vapour continuum absorption in spectral region 5000–5600 cm−1: Evidence for water dimers , 2004 .

[9]  Alexander M. Mebel,et al.  On the calculation of the dissociation rate constant of the water dimer by the ab initio anharmonic RRKM theory , 2009 .

[10]  C. Leforestier Water dimer equilibrium constant calculation: a quantum formulation including metastable states. , 2014, The Journal of chemical physics.

[11]  H. Kwok,et al.  Infrared Vibrational Predissociation Spectroscopy of Water Clusters by the Crossed Laser-molecular Beam Technique , 1982 .

[12]  Richard G. Compton,et al.  Kinetic models of catalytic reactions , 1991 .

[13]  Bruce J Palmer,et al.  Activation energies and potentials of mean force for water cluster evaporation. , 2008, The Journal of chemical physics.

[14]  Larry A. Curtiss,et al.  Studies of molecular association in H2O and D2O vapors by measurement of thermal conductivity , 1979 .

[15]  S. H. Bauer,et al.  Homogeneous nucleation in metal vapors. 5. A self-consistent kinetic model , 1977 .

[16]  S. H. Bauer,et al.  Metastable size distributions of molecular clusters in supersaturated vapors , 2001 .