pro nad_equilib, q_hno3,q_h2o,p,t,t_nad,p_hno3_eq,v_nad ;------------------------------------------------------------------ ; ; purpose: ; ; Routine calculates the: ; ; a) equilibrium temperature of nitric acid dihydrate (NAD) ; b) equilibrium vapor pressure of hno3 over NAD ; c) volume of condensed NAD ; ; as a function of the h2o mixing ratio, hno3 mixing ratio ; and ambient pressure and temperature. ; The equilibrium over NAD is from Worsnop et al., Science, 259, 71-74, 1993. ; ; and the data from Fig 3 were fit according to ; Kn = exp(a + bT) ; where b = 0.578, a = -144.15 ; ; parameters: ; ; input: ; q_hno3.......hno3 vapor mixing ratio (ppbv) ; q_h2o........water vapor mixing ratio (ppmv) ; p............pressure (mb) ; t............temperature (K) ; ; output: ; t_nad........NAD equilibrium temperature (K) ; p_hno3_eq....equilibrium hno3 vapor presure (mb) ; v_nad........volume of condensed NAT (um3/cm3) ; ; source: Mark Hervig ; ;------------------------------------------------------------------- ;- check inputs if (q_hno3 le 0.0 or q_h2o le 0.0 or p le 0.0 or t le 0.0) then begin t_nad=0.0 p_hno3_eq=0.0 v_nad=0.0 return endif ;- setup some constants etc... p_hno3 = 0.0 p_h2o = 0.0 t_frost = 0.0 v_nad = 0.0 t_nad = 0.0 p_hno3_eq = 0.0 if (q_hno3 le 0.0) then return ;- some constants torr_mb = 1.333224 ; pressure, torr to mb R = 8.314 ; J/mol/K Mwd = 99.0 ; molec wt. NAD, g/mol Mwn = 63.0 ; molec wt. hno3, g/mol dn = 1.67 ; density of NAD, g/cm3, this number should be checked !! wfn = 0.6364 ; wt. fraction hno3 in NAD a = -144.15 ; constants describing Kn from Worsnop, fig 3 b = 0.578 ;- partial pressures p_torr = p / torr_mb p_hno3 = p_torr * q_hno3 * 1.0e-9 p_h2o = p_torr * q_h2o * 1.e-6 ;- solve for equilibrium NAD temperature t_nad = ( alog(p_hno3 * p_h2o^2) -a ) / b ; K ;- solve for equilibrium pressure of hno3 over NAD Kn = exp( a + b *T) ; torr^3 p_hno3_eq = torr_mb * Kn * p_h2o ^(-2) ; equilib p, mb q_hno3_eq = p_hno3_eq / (p *1.e-9) ; equilib mix, ppbv ;- for T < t_nad, compute NAD volume if (t le t_nad) then begin q_hno3_xs = q_hno3 - q_hno3_eq ; excess hno3 nn = (p*100.0) * (q_hno3_xs*1.e-9) /(R*T) ; mols condensed hno3 per m3 air v_nad = 1.0e6 * (nn * Mwn) / (wfn * dn) ; NAD volume, um3/cm3 endif return end