! ! $Id: nucleation_tstep_mod.F90 4368 2022-12-05 23:01:16Z oboucher $ ! MODULE nucleation_tstep_mod CONTAINS SUBROUTINE nucleation_rate(rhoa,t_seri,pplay,rh,a_xm,b_xm,c_xm,nucl_rate,ntot_n,x_n) USE aerophys USE infotrac_phy USE YOMCST, ONLY : RPI, RD, RMD, RKBOL, RNAVO IMPLICIT NONE ! input variables LOGICAL, PARAMETER :: flag_new_nucl=.TRUE. REAL rhoa ! H2SO4 number density [molecules/cm3] REAL t_seri ! temperature (K) REAL pplay ! pressure (Pa) REAL rh ! relative humidity (between 0 and 1) REAL a_xm, b_xm, c_xm ! output variables REAL nucl_rate REAL ntot_n ! total number of molecules in the critical cluster for neutral nucleation REAL x_n ! mole fraction of H2SO4 in the critical cluster for neutral nucleation ! local variables REAL jnuc_n ! nucleation rate in 1/cm3s (10^-7-10^10 1/cm3s) for neutral nucleation REAL rc_n ! radius of the critical cluster in nm for neutral nucleation REAL na_n ! sulfuric acid molecules in the neutral critical cluster (NOT IN USE) LOGICAL kinetic_n ! true if kinetic neutral nucleation (NOT IN USE) LOGICAL kinetic_i ! true if kinetic ion-induced nucleation (NOT IN USE) REAL rhoatres ! threshold concentration of H2SO4 (1/cm^3) for neutral kinetic nucleation (NOT IN USE) REAL VH2SO4mol REAL ntot_i, x_i, jnuc_i, rc_i, na_i, n_i ! quantities for charged nucleation (NOT IN USE) REAL csi ! Ion condensation sink (s-1) NOT IN USE REAL airn ! Air molecule concentration in (cm-3) NOT IN USE REAL ipr ! Ion pair production rate (cm-3 s-1) NOT IN USE ! call nucleation routine IF (.NOT.flag_new_nucl) THEN ! Use older routine from Hanna Vehkamäki (FMI) CALL binapara(t_seri,rh,rhoa,jnuc_n,x_n,ntot_n,rc_n) ! when total number of molecules is too small ! then set jnuc_n to collision rate of two H2SO4 molecules (following personal communication of Ulrike Niemeier and Hanna Vehkamäki) IF (ntot_n < 4.0) THEN VH2SO4mol=mH2SO4mol/(1.E-3*(a_xm+t_seri*(b_xm+t_seri*c_xm))) !cm3 jnuc_n = rhoa**2. *(3./4.*RPI)**(1./6.) *(12.*RKBOL*t_seri/mH2SO4mol)**0.5 & & *100.*(2.*VH2SO4mol**(1./3.))**2. !1/(cm3s) ntot_n=2.0 x_n=1.0 ENDIF ELSE ! Use new routine from Anni Maattanen (LATMOS) csi=0.0 ! no charged nucleation for now ipr=-1.0 ! dummy value to make sure charged nucleation does not occur airn=0.0 ! NOT IN USE ! airn=pplay/t_seri/RD/1.E3*RNAVO/RMD ! molec cm-3 (for future use, to be confirmed) CALL newbinapara(t_seri,rh,rhoa,csi,airn,ipr,jnuc_n,ntot_n,jnuc_i,ntot_i, & & x_n,x_i,na_n,na_i,rc_n,rc_i,n_i,kinetic_n,kinetic_i,rhoatres) ENDIF ! convert jnuc_n from particles/cm3/s to kg(H2SO4)/kgA/s nucl_rate=jnuc_n*ntot_n*x_n*mH2SO4mol/(pplay/t_seri/RD/1.E6) END SUBROUTINE nucleation_rate !-------------------------------------------------------------------------------------------------- SUBROUTINE nucleation_part(nucl_rate,ntot,x,dt,Vbin,tr_seri) USE aerophys USE infotrac_phy IMPLICIT NONE ! input variable REAL nucl_rate REAL ntot ! total number of molecules in the critical cluster REAL x ! mole raction of H2SO4 in the critical cluster REAL dt REAL Vbin(nbtr_bin) ! output variable REAL tr_seri(nbtr) ! local variable INTEGER k REAL Vnew REAL ff(nbtr_bin) ! dry volume of nucleated particle (at reference temperature) Vnew=mH2SO4mol*ntot*x/dens_aer_dry ! compute distribution factor for particles of intermediate size (from Jacobson 1994, equation 13) ff(:)=0.0 DO k=1, nbtr_bin ! CK 20160531: bug fix for first bin IF (k.LE.nbtr_bin-1) THEN IF (Vbin(k).LE.Vnew.AND.Vnew.LT.Vbin(k+1)) THEN ff(k)= Vbin(k)/Vnew*(Vbin(k+1)-Vnew)/(Vbin(k+1)-Vbin(k)) ENDIF ENDIF IF (k.EQ.1.AND.Vnew.LE.Vbin(k)) THEN ff(k)= 1. ENDIF IF (k.GT.1) THEN IF (Vbin(k-1).LT.Vnew.AND.Vnew.LT.Vbin(k)) THEN ff(k)= 1.-ff(k-1) ENDIF ENDIF IF (k.EQ.nbtr_bin.AND.Vnew.GE.Vbin(k)) THEN ff(k)= 1. ENDIF ENDDO ! correction of ff for volume conservation DO k=1, nbtr_bin ff(k)=ff(k)*Vnew/Vbin(k) ENDDO ! add nucleated H2SO4 to corresponding aerosol bin DO k=1, nbtr_bin tr_seri(k+nbtr_sulgas)=tr_seri(k+nbtr_sulgas)+nucl_rate*dt/(mH2SO4mol*ntot*x)*ff(k) ENDDO END SUBROUTINE nucleation_part !--------------------------------------------------------------------------------------------------- SUBROUTINE binapara(pt,prh,rhoa_in,jnuc,x,ntot,rc) ! Fortran 90 subroutine binapara ! ! Calculates parametrized values of nucleation rate, ! mole fraction of sulphuric acid ! total number of particles, and the radius of the critical cluster ! in H2O-H2SO4 system IF temperature, saturatio ratio of water and ! sulfuric acid concentration are given. ! ! Copyright (C) 2002 Hanna Vehkamäki ! ! Division of Atmospheric Sciences ! Department of Physical Sciences ! P.O. Box 64 ! FIN-00014 University of Helsinki ! Finland ! ! hanna.vehkamaki@helsinki.fi IMPLICIT NONE REAL :: pt,t !temperature in K (190.15-300.15K) REAL :: prh,rh !saturation ratio of water (0.0001-1) REAL,INTENT(IN) :: rhoa_in !sulfuric acid concentration in 1/cm3 (10^4-10^11 1/cm3) REAL,INTENT(OUT) :: jnuc !nucleation rate in 1/cm3s (10^-7-10^10 1/cm3s) REAL,INTENT(OUT) :: ntot !total number of molecules in the critical cluster (ntot>4) REAL,INTENT(OUT) :: x ! mole fraction of H2SO4 in the critical cluster REAL,INTENT(OUT) :: rc !radius of the critical cluster in nm REAL :: rhotres ! threshold concentration of h2so4 (1/cm^3) ! which produces nucleation rate 1/(cm^3 s) as a function of rh and t REAL rhoa ! CK: use intermediate variable to avoid overwriting t=pt rh=prh rhoa=rhoa_in IF (t < 190.15) THEN ! print *,'Warning (ilon=',ilon,'ilev=',ilev,'): temperature < 190.15 K, using 190.15 K (T=',t,'K)' t=190.15 ENDIF IF (t > 300.15) THEN ! print *,'Warning (ilon=',ilon,'ilev=',ilev,'): temperature > 300.15 K, using 300.15 K' t=300.15 ENDIF IF (rh < 0.0001) THEN ! print *,'Warning (ilon=',ilon,'ilev=',ilev,'): saturation ratio of water < 0.0001, using 0.0001' rh=0.0001 ENDIF IF (rh > 1.0) THEN ! print *,'Warning (ilon=',ilon,'ilev=',ilev,'): saturation ratio of water > 1 using 1' ! print *, 'rh=',rh rh=1.0 ENDIF IF (rhoa < 1.e4) THEN ! print *,'Warning (ilon=',ilon,'ilev=',ilev,'): sulfuric acid concentration < 1e4 1/cm3, using 1e4 1/cm3' rhoa=1.e4 ENDIF IF (rhoa > 1.e11) THEN ! print *,'Warning (ilon=',ilon,'ilev=',ilev,'): sulfuric acid concentration > 1e11 1/cm3, using 1e11 1/cm3' rhoa=1.e11 ENDIF x= 0.7409967177282139 - 0.002663785665140117*t + 0.002010478847383187*LOG(rh) & & - 0.0001832894131464668*t*LOG(rh) + 0.001574072538464286*LOG(rh)**2 & & - 0.00001790589121766952*t*LOG(rh)**2 + 0.0001844027436573778*LOG(rh)**3 & & - 1.503452308794887E-6*t*LOG(rh)**3 - 0.003499978417957668*LOG(rhoa) & & + 0.0000504021689382576*t*LOG(rhoa) jnuc= 0.1430901615568665 + 2.219563673425199*t - 0.02739106114964264*t**2 + & & 0.00007228107239317088*t**3 + 5.91822263375044/x + & & 0.1174886643003278*LOG(rh) + 0.4625315047693772*t*LOG(rh) - & & 0.01180591129059253*t**2*LOG(rh) + & & 0.0000404196487152575*t**3*LOG(rh) + (15.79628615047088*LOG(rh))/x - & & 0.215553951893509*LOG(rh)**2 - 0.0810269192332194*t*LOG(rh)**2 + & & 0.001435808434184642*t**2*LOG(rh)**2 - & & 4.775796947178588E-6*t**3*LOG(rh)**2 - & & (2.912974063702185*LOG(rh)**2)/x - 3.588557942822751*LOG(rh)**3 + & & 0.04950795302831703*t*LOG(rh)**3 - & & 0.0002138195118737068*t**2*LOG(rh)**3 + & & 3.108005107949533E-7*t**3*LOG(rh)**3 - & & (0.02933332747098296*LOG(rh)**3)/x + & & 1.145983818561277*LOG(rhoa) - & & 0.6007956227856778*t*LOG(rhoa) + & & 0.00864244733283759*t**2*LOG(rhoa) - & & 0.00002289467254710888*t**3*LOG(rhoa) - & & (8.44984513869014*LOG(rhoa))/x + & & 2.158548369286559*LOG(rh)*LOG(rhoa) + & & 0.0808121412840917*t*LOG(rh)*LOG(rhoa) - & & 0.0004073815255395214*t**2*LOG(rh)*LOG(rhoa) - & & 4.019572560156515E-7*t**3*LOG(rh)*LOG(rhoa) + & & (0.7213255852557236*LOG(rh)*LOG(rhoa))/x + & & 1.62409850488771*LOG(rh)**2*LOG(rhoa) - & & 0.01601062035325362*t*LOG(rh)**2*LOG(rhoa) + & & 0.00003771238979714162*t**2*LOG(rh)**2*LOG(rhoa) + & & 3.217942606371182E-8*t**3*LOG(rh)**2*LOG(rhoa) - & & (0.01132550810022116*LOG(rh)**2*LOG(rhoa))/x + & & 9.71681713056504*LOG(rhoa)**2 - & & 0.1150478558347306*t*LOG(rhoa)**2 + & & 0.0001570982486038294*t**2*LOG(rhoa)**2 + & & 4.009144680125015E-7*t**3*LOG(rhoa)**2 + & & (0.7118597859976135*LOG(rhoa)**2)/x - & & 1.056105824379897*LOG(rh)*LOG(rhoa)**2 + & & 0.00903377584628419*t*LOG(rh)*LOG(rhoa)**2 - & & 0.00001984167387090606*t**2*LOG(rh)*LOG(rhoa)**2 + & & 2.460478196482179E-8*t**3*LOG(rh)*LOG(rhoa)**2 - & & (0.05790872906645181*LOG(rh)*LOG(rhoa)**2)/x - & & 0.1487119673397459*LOG(rhoa)**3 + & & 0.002835082097822667*t*LOG(rhoa)**3 - & & 9.24618825471694E-6*t**2*LOG(rhoa)**3 + & & 5.004267665960894E-9*t**3*LOG(rhoa)**3 - & & (0.01270805101481648*LOG(rhoa)**3)/x jnuc=EXP(jnuc) !1/(cm3s) ntot =-0.002954125078716302 - 0.0976834264241286*t + 0.001024847927067835*t**2 - 2.186459697726116E-6*t**3 - & & 0.1017165718716887/x - 0.002050640345231486*LOG(rh) - 0.007585041382707174*t*LOG(rh) + & & 0.0001926539658089536*t**2*LOG(rh) - 6.70429719683894E-7*t**3*LOG(rh) - & & (0.2557744774673163*LOG(rh))/x + 0.003223076552477191*LOG(rh)**2 + 0.000852636632240633*t*LOG(rh)**2 - & & 0.00001547571354871789*t**2*LOG(rh)**2 + 5.666608424980593E-8*t**3*LOG(rh)**2 + & & (0.03384437400744206*LOG(rh)**2)/x + 0.04743226764572505*LOG(rh)**3 - & & 0.0006251042204583412*t*LOG(rh)**3 + 2.650663328519478E-6*t**2*LOG(rh)**3 - & & 3.674710848763778E-9*t**3*LOG(rh)**3 - (0.0002672510825259393*LOG(rh)**3)/x - & & 0.01252108546759328*LOG(rhoa) + 0.005806550506277202*t*LOG(rhoa) - & & 0.0001016735312443444*t**2*LOG(rhoa) + 2.881946187214505E-7*t**3*LOG(rhoa) + & & (0.0942243379396279*LOG(rhoa))/x - 0.0385459592773097*LOG(rh)*LOG(rhoa) - & & 0.0006723156277391984*t*LOG(rh)*LOG(rhoa) + 2.602884877659698E-6*t**2*LOG(rh)*LOG(rhoa) + & & 1.194163699688297E-8*t**3*LOG(rh)*LOG(rhoa) - (0.00851515345806281*LOG(rh)*LOG(rhoa))/x - & & 0.01837488495738111*LOG(rh)**2*LOG(rhoa) + 0.0001720723574407498*t*LOG(rh)**2*LOG(rhoa) - & & 3.717657974086814E-7*t**2*LOG(rh)**2*LOG(rhoa) - & & 5.148746022615196E-10*t**3*LOG(rh)**2*LOG(rhoa) + & & (0.0002686602132926594*LOG(rh)**2*LOG(rhoa))/x - 0.06199739728812199*LOG(rhoa)**2 + & & 0.000906958053583576*t*LOG(rhoa)**2 - 9.11727926129757E-7*t**2*LOG(rhoa)**2 - & & 5.367963396508457E-9*t**3*LOG(rhoa)**2 - (0.007742343393937707*LOG(rhoa)**2)/x + & & 0.0121827103101659*LOG(rh)*LOG(rhoa)**2 - 0.0001066499571188091*t*LOG(rh)*LOG(rhoa)**2 + & & 2.534598655067518E-7*t**2*LOG(rh)*LOG(rhoa)**2 - & & 3.635186504599571E-10*t**3*LOG(rh)*LOG(rhoa)**2 + & & (0.0006100650851863252*LOG(rh)*LOG(rhoa)**2)/x + 0.0003201836700403512*LOG(rhoa)**3 - & & 0.0000174761713262546*t*LOG(rhoa)**3 + 6.065037668052182E-8*t**2*LOG(rhoa)**3 - & & 1.421771723004557E-11*t**3*LOG(rhoa)**3 + (0.0001357509859501723*LOG(rhoa)**3)/x ntot=EXP(ntot) rc=EXP(-1.6524245+0.42316402*x+0.33466487*LOG(ntot)) !nm IF (jnuc < 1.E-7) THEN ! print *,'Warning (ilon=',ilon,'ilev=',ilev'): nucleation rate < 1E-7/cm3s, using 0.0/cm3s,' jnuc=0.0 ENDIF IF (jnuc > 1.e10) THEN ! print *,'Warning (ilon=',ilon,'ilev=',ilev, & ! & '): nucleation rate > 1e10/cm3s, using 1e10/cm3s' jnuc=1.e10 ENDIF rhotres=EXP( -279.2430007512709 + 11.73439886096903*rh + 22700.92970508331/t & & - (1088.644983466801*rh)/t + 1.144362942094912*t & & - 0.03023314602163684*rh*t - 0.001302541390154324*t**2 & & - 6.386965238433532*LOG(rh) + (854.980361026715*LOG(rh))/t & & + 0.00879662256826497*t*LOG(rh)) !1/cm3 RETURN END SUBROUTINE binapara !--------------------------------------------------------------------------------------------------- SUBROUTINE newbinapara(t,satrat,rhoa,csi,airn,ipr,jnuc_n_real,ntot_n_real,jnuc_i_real,ntot_i_real, & & x_n_real,x_i_real,na_n_real,na_i_real,rc_n_real,rc_i_real,n_i_real, & & kinetic_n,kinetic_i,rhoatres_real) ! Fortran 90 subroutine newbinapara ! ! Calculates parametrized values for neutral and ion-induced sulfuric acid-water particle formation rate ! of critical clusters, ! number of particle in the critical clusters, the radii of the critical clusters ! in H2O-H2SO4-ion system if temperature, saturation ratio of water, sulfuric acid concentration, ! and, optionally, either condensation sink due to pre-existing particle and ion pair production rate, ! or atmospheric concentration of negative ions are given. ! ! The code calculates also the kinetic limit and the particle formation rate ! above this limit (in which case we set ntot=1 and na=1) ! ! Copyright (C)2018 Määttänen et al. 2018 ! ! anni.maattanen@latmos.ipsl.fr ! joonas.merikanto@fmi.fi ! hanna.vehkamaki@helsinki.fi ! ! References ! A. Määttänen, J. Merikanto, H. Henschel, J. Duplissy, R. Makkonen, ! I. K. Ortega and H. Vehkamäki (2018), New parameterizations for ! neutral and ion-induced sulfuric acid-water particle formation in ! nucleation and kinetic regimes, J. Geophys. Res. Atmos., 122, doi:10.1002/2017JD027429. ! ! Brasseur, G., and A. Chatel (1983), paper presented at the 9th Annual Meeting of the ! European Geophysical Society, Leeds, Great Britain, August 1982. ! ! Dunne, Eimear M., et al.(2016), Global atmospheric particle formation from CERN CLOUD measurements, ! Science 354.6316, 1119-1124. ! USE aerophys USE YOMCST, ONLY : RPI, RKBOL IMPLICIT NONE !---------------------------------------------------- !Global intent in REAL,INTENT(IN) :: t ! temperature in K REAL,INTENT(IN) :: satrat ! saturatio ratio of water (between zero and 1) REAL,INTENT(IN) :: rhoa ! sulfuric acid concentration in 1/cm3 REAL,INTENT(IN) :: csi ! Ion condensation sink (s-1) REAL,INTENT(IN) :: airn ! Air molecule concentration in (cm-3) REAL,INTENT(IN) :: ipr ! Ion pair production rate (cm-3 s-1) !Global intent out REAL,INTENT(OUT) :: jnuc_n_real ! Neutral nucleation rate in 1/cm3s (J>10^-7 1/cm3s) REAL,INTENT(OUT) :: ntot_n_real ! total number of molecules in the neutral critical cluster REAL,INTENT(OUT) :: jnuc_i_real ! Charged nucleation rate in 1/cm3s (J>10^-7 1/cm3s) REAL,INTENT(OUT) :: ntot_i_real ! total number of molecules in the charged critical cluster REAL,INTENT(OUT) :: x_n_real ! mole fraction of H2SO4 in the neutral critical cluster REAL,INTENT(OUT) :: x_i_real ! mole fraction of H2SO4 in the charged critical cluster ! (note that x_n=x_i in nucleation regime) REAL,INTENT(OUT) :: na_n_real ! sulfuric acid molecules in the neutral critical cluster REAL,INTENT(OUT) :: na_i_real ! sulfuric molecules in the charged critical cluster REAL,INTENT(OUT) :: rc_n_real ! radius of the charged critical cluster in nm REAL,INTENT(OUT) :: rc_i_real ! radius of the charged critical cluster in nm REAL,INTENT(OUT) :: n_i_real ! number of ion pairs in air (cm-3) REAL,INTENT(OUT) :: rhoatres_real ! threshold concentration of H2SO4 (1/cm^3) for neutral kinetic nucleation LOGICAL,INTENT(OUT) :: kinetic_n ! true if kinetic neutral nucleation LOGICAL,INTENT(OUT) :: kinetic_i ! true if kinetic ion-induced nucleation ! Local DOUBLE PRECISION :: jnuc_n ! Neutral nucleation rate in 1/cm3s (J>10^-7 1/cm3s) DOUBLE PRECISION :: ntot_n ! total number of molecules in the neutral critical cluster DOUBLE PRECISION :: jnuc_i ! Charged nucleation rate in 1/cm3s (J>10^-7 1/cm3s) DOUBLE PRECISION :: ntot_i ! total number of molecules in the charged critical cluster DOUBLE PRECISION :: x_n ! mole fraction of H2SO4 in the neutral critical cluster DOUBLE PRECISION :: x_i ! mole fraction of H2SO4 in the charged critical cluster ! (note that x_n=x_i in nucleation regime) DOUBLE PRECISION :: na_n ! sulfuric acid molecules in the neutral critical cluster DOUBLE PRECISION :: na_i ! sulfuric molecules in the charged critical cluster DOUBLE PRECISION :: rc_n ! radius of the charged critical cluster in nm DOUBLE PRECISION :: rc_i ! radius of the charged critical cluster in nm DOUBLE PRECISION :: n_i ! number of ion pairs in air (cm-3) DOUBLE PRECISION :: rhoatres ! threshold concentration of H2SO4 (1/cm^3) for neutral kinetic nucleation DOUBLE PRECISION :: x ! mole fraction of H2SO4 in the critical cluster DOUBLE PRECISION :: satratln ! bounded water saturation ratio for neutral case (between 5.E-6 - 1.0) DOUBLE PRECISION :: satratli ! bounded water saturation ratio for ion-induced case (between 1.E-7 - 0.95) DOUBLE PRECISION :: rhoaln ! bounded concentration of h2so4 for neutral case (between 10^10 - 10^19 m-3) DOUBLE PRECISION :: rhoali ! bounded concentration of h2so4 for ion-induced case (between 10^10 - 10^22 m-3) DOUBLE PRECISION :: tln ! bounded temperature for neutral case (between 165-400 K) DOUBLE PRECISION :: tli ! bounded temperature for ion-induced case (195-400 K) DOUBLE PRECISION :: kinrhotresn ! threshold sulfuric acid for neutral kinetic nucleation DOUBLE PRECISION :: kinrhotresi ! threshold sulfuric acid for ion-induced kinetic nucleation DOUBLE PRECISION :: jnuc_i1 ! Ion-induced rate for n_i=1 cm-3 DOUBLE PRECISION :: xloss ! Ion loss rate DOUBLE PRECISION :: recomb ! Ion-ion recombination rate !--- 0) Initializations: kinetic_n=.FALSE. kinetic_i=.FALSE. jnuc_n=0.0 jnuc_i=0.0 ntot_n=0.0 ntot_i=0.0 na_n=0.0 na_i=0.0 rc_n=0.0 rc_i=0.0 x=0.0 x_n=0.0 x_i=0.0 satratln=satrat satratli=satrat rhoaln=rhoa rhoali=rhoa tln=t tli=t n_i=0.0 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !Boundary values according to parameterization limits !Temperature bounds IF (t.LE.165.) THEN ! print *,'Warning: temperature < 165.0 K, using 165.0 K in neutral nucleation calculation' tln=165.0 ENDIF IF (t.LE.195.) THEN ! print *,'Warning: temperature < 195.0 K, using 195.0 K in ion-induced nucleation calculation' tli=195.0 ENDIF IF (t.GE.400.) THEN ! print *,'Warning: temperature > 400. K, using 400. K in nucleation calculations' tln=400. tli=400. ENDIF ! Saturation ratio bounds IF (satrat.LT.1.E-7) THEN ! print *,'Warning: saturation ratio of water < 1.E-7, using 1.E-7 in ion-induced nucleation calculation' satratli=1.E-7 ENDIF IF (satrat.LT.1.E-5) THEN ! print *,'Warning: saturation ratio of water < 1.E-5, using 1.E-5 in neutral nucleation calculation' satratln=1.E-5 ENDIF IF (satrat.GT.0.95) THEN ! print *,'Warning: saturation ratio of water > 0.95, using 0.95 in ion-induced nucleation calculation' satratli=0.95 ENDIF IF (satrat.GT.1.0) THEN ! print *,'Warning: saturation ratio of water > 1 using 1 in neutral nucleation calculation' satratln=1.0 ENDIF ! Sulfuric acid concentration bounds IF (rhoa.LE.1.E4) THEN ! print *,'Warning: sulfuric acid < 1e4 1/cm3, using 1e4 1/cm3 in nucleation calculation' rhoaln=1.E4 rhoali=1.E4 ENDIF IF (rhoa.GT.1.E13) THEN ! print *,'Warning: sulfuric acid > 1e13 1/cm3, using 1e13 1/cm3 in neutral nucleation calculation' rhoaln=1.E13 ENDIF IF (rhoa.GT.1.E16) THEN ! print *,'Warning: sulfuric acid concentration > 1e16 1/cm3, using 1e16 1/cm3 in ion-induced nucleation calculation' rhoali=1.E16 ENDIF !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !Critical cluster composition (valid for both cases, bounds not used here) x_n= 7.9036365428891719E-1 - 2.8414059650092153E-3*tln + 1.4976802556584141E-2*LOG(satratln) & & - 2.4511581740839115E-4*tln*LOG(satratln) + 3.4319869471066424E-3 *LOG(satratln)**2 & & - 2.8799393617748428E-5*tln*LOG(satratln)**2 + 3.0174314126331765E-4*LOG(satratln)**3 & & - 2.2673492408841294E-6*tln*LOG(satratln)**3 - 4.3948464567032377E-3*LOG(rhoaln) & & + 5.3305314722492146E-5*tln*LOG(rhoaln) x_i= 7.9036365428891719E-1 - 2.8414059650092153E-3*tli + 1.4976802556584141E-2*LOG(satratli) & & - 2.4511581740839115E-4*tli*LOG(satratli) + 3.4319869471066424E-3 *LOG(satratli)**2 & & - 2.8799393617748428E-5*tli*LOG(satratli)**2 + 3.0174314126331765E-4*LOG(satratli)**3 & & - 2.2673492408841294E-6*tli*LOG(satratli)**3 - 4.3948464567032377E-3*LOG(rhoali) & & + 5.3305314722492146E-5*tli*LOG(rhoali) x_n=MIN(MAX(x_n,1.E-30),1.) x_i=MIN(MAX(x_i,1.E-30),1.) !Neutral nucleation !Kinetic limit check IF (satratln .GE. 1.E-2 .AND. satratln .LE. 1.) THEN kinrhotresn=EXP(7.8920778706888086E+1 + 7.3665492897447082*satratln - 1.2420166571163805E+4/tln & & + (-6.1831234251470971E+2*satratln)/tln - 2.4501159970109945E-2*tln & & -1.3463066443605762E-2*satratln*tln + 8.3736373989909194E-06*tln**2 & & -1.4673887785408892*LOG(satratln) + (-3.2141890006517094E+1*LOG(satratln))/tln & & + 2.7137429081917556E-3*tln*LOG(satratln)) !1/cm3 IF (kinrhotresn.LT.rhoaln) kinetic_n=.TRUE. ENDIF IF (satratln .GE. 1.E-4 .AND. satratln .LT. 1.E-2) THEN kinrhotresn=EXP(7.9074383049843647E+1 - 2.8746005462158347E+1*satratln - 1.2070272068458380E+4/tln & & + (-5.9205040320056632E+3*satratln)/tln - 2.4800372593452726E-2*tln & & -4.3983007681295948E-2*satratln*tln + 2.5943854791342071E-5*tln**2 & & -2.3141363245211317*LOG(satratln) + (9.9186787997857735E+1*LOG(satratln))/tln & & + 5.6819382556144681E-3*tln*LOG(satratln)) !1/cm3 IF (kinrhotresn.LT.rhoaln) kinetic_n=.TRUE. ENDIF IF (satratln .GE. 5.E-6 .AND. satratln .LT. 1.E-4) THEN kinrhotresn=EXP(8.5599712000361677E+1 + 2.7335119660796581E+3*satratln - 1.1842350246291651E+4/tln & & + (-1.2439843468881438E+6*satratln)/tln - 5.4536964974944230E-2*tln & & + 5.0886987425326087*satratln*tln + 7.1964722655507067E-5*tln**2 & & -2.4472627526306372*LOG(satratln) + (1.7561478001423779E+2*LOG(satratln))/tln & & + 6.2640132818141811E-3*tln*LOG(satratln)) !1/cm3 IF (kinrhotresn.LT.rhoaln) kinetic_n=.TRUE. ENDIF IF (kinetic_n) THEN ! Dimer formation rate jnuc_n=1.E6*(2.*0.3E-9)**2.*SQRT(8.*RPI*RKBOL*(1./mH2SO4mol+1./mH2SO4mol))/2.*SQRT(t)*rhoa**2. ! jnuc_n=1.E6*(2.*0.3E-9)**2.*SQRT(8.*3.141593*1.38E-23*(1./(1.661E-27*98.07)+1./(1.661E-27*98.07)))/2.*SQRT(t)*rhoa**2. ntot_n=1. !set to 1 na_n=1. ! The critical cluster contains one molecules but the produced cluster contains 2 molecules x_n=na_n/ntot_n ! so also set this to 1 rc_n=0.3E-9 ELSE jnuc_n= 2.1361182605986115E-1 + 3.3827029855551838*tln -3.2423555796175563E-2*tln**2 + & & 7.0120069477221989E-5*tln**3 +8.0286874752695141/x_n + & & (-2.6939840579762231E-1)*LOG(satratln) +1.6079879299099518*tln*LOG(satratln) + & & (-1.9667486968141933E-2)*tln**2*LOG(satratln) + & & 5.5244755979770844E-5*tln**3*LOG(satratln) + (7.8884704837892468*LOG(satratln))/x_n + & & 4.6374659198909596*LOG(satratln)**2 - 8.2002809894792153E-2*tln*LOG(satratln)**2 + & & 8.5077424451172196E-4*tln**2*LOG(satratln)**2 + & & (-2.6518510168987462E-6)*tln**3*LOG(satratln)**2 + & & (-1.4625482500575278*LOG(satratln)**2)/x_n - 5.2413002989192037E-1*LOG(satratln)**3 + & & 5.2755117653715865E-3*tln*LOG(satratln)**3 + & & (-2.9491061332113830E-6)*tln**2*LOG(satratln)**3 + & & (-2.4815454194486752E-8)*tln**3*LOG(satratln)**3 + & & (-5.2663760117394626E-2*LOG(satratln)**3)/x_n + & & 1.6496664658266762*LOG(rhoaln) + & & (-8.0809397859218401E-1)*tln*LOG(rhoaln) + & & 8.9302927091946642E-3*tln**2*LOG(rhoaln) + & & (-1.9583649496497497E-5)*tln**3*LOG(rhoaln) + & & (-8.9505572676891685*LOG(rhoaln))/x_n + & & (-3.0025283601622881E+1)*LOG(satratln)*LOG(rhoaln) + & & 3.0783365644763633E-1*tln*LOG(satratln)*LOG(rhoaln) + & & (-7.4521756337984706E-4)*tln**2*LOG(satratln)*LOG(rhoaln) + & & (-5.7651433870681853E-7)*tln**3*LOG(satratln)*LOG(rhoaln) + & & (1.2872868529673207*LOG(satratln)*LOG(rhoaln))/x_n + & & (-6.1739867501526535E-1)*LOG(satratln)**2*LOG(rhoaln) + & & 7.2347385705333975E-3*tln*LOG(satratln)**2*LOG(rhoaln) + & & (-3.0640494530822439E-5)*tln**2*LOG(satratln)**2*LOG(rhoaln) + & & 6.5944609194346214E-8*tln**3*LOG(satratln)**2*LOG(rhoaln) + & & (-2.8681650332461055E-2*LOG(satratln)**2*LOG(rhoaln))/x_n + & & 6.5213802375160306*LOG(rhoaln)**2 + & & (-4.7907162004793016E-2)*tln*LOG(rhoaln)**2 + & & (-1.0727890114215117E-4)*tln**2*LOG(rhoaln)**2 + & & 5.6401818280534507E-7*tln**3*LOG(rhoaln)**2 + & & (5.4113070888923009E-1*LOG(rhoaln)**2)/x_n + & & 5.2062808476476330E-1*LOG(satratln)*LOG(rhoaln)**2 + & & (-6.0696882500824584E-3)*tln*LOG(satratln)*LOG(rhoaln)**2 + & & 2.3851383302608477E-5*tln**2*LOG(satratln)*LOG(rhoaln)**2 + & & (-1.5243837103067096E-8)*tln**3*LOG(satratln)*LOG(rhoaln)**2 + & & (-5.6543192378015687E-2*LOG(satratln)*LOG(rhoaln)**2)/x_n + & & (-1.1630806410696815E-1)*LOG(rhoaln)**3 + & & 1.3806404273119610E-3*tln*LOG(rhoaln)**3 + & & (-2.0199865087650833E-6)*tln**2*LOG(rhoaln)**3 + & & (-3.0200284885763192E-9)*tln**3*LOG(rhoaln)**3 + & & (-6.9425267104126316E-3*LOG(rhoaln)**3)/x_n jnuc_n=EXP(jnuc_n) ntot_n =-3.5863435141979573E-3 - 1.0098670235841110E-1*tln + 8.9741268319259721E-4*tln**2 - 1.4855098605195757E-6*tln**3 & & - 1.2080330016937095E-1/x_n + 1.1902674923928015E-3*LOG(satratln) - 1.9211358507172177E-2*tln*LOG(satratln) + & & 2.4648094311204255E-4*tln**2*LOG(satratln) - 7.5641448594711666E-7*tln**3*LOG(satratln) + & & (-2.0668639384228818E-02*LOG(satratln))/x_n - 3.7593072011595188E-2*LOG(satratln)**2 + & & 9.0993182774415718E-4 *tln*LOG(satratln)**2 + & & (-9.5698412164297149E-6)*tln**2*LOG(satratln)**2 + 3.7163166416110421E-8*tln**3*LOG(satratln)**2 + & & (1.1026579525210847E-2*LOG(satratln)**2)/x_n + 1.1530844115561925E-2 *LOG(satratln)**3 + & & (-1.8083253906466668E-4)*tln*LOG(satratln)**3 + 8.0213604053330654E-7*tln**2*LOG(satratln)**3 + & & (-8.5797885383051337E-10)*tln**3*LOG(satratln)**3 + (1.0243693899717402E-3*LOG(satratln)**3)/x_n + & & (-1.7248695296299649E-2)*LOG(rhoaln) + 1.1294004162437157E-2*tln*LOG(rhoaln) + & & (-1.2283640163189278E-4)*tln**2*LOG(rhoaln) + 2.7391732258259009E-7*tln**3*LOG(rhoaln) + & & (6.8505583974029602E-2*LOG(rhoaln))/x_n +2.9750968179523635E-1*LOG(satratln)*LOG(rhoaln) + & & (-3.6681154503992296E-3)*tln*LOG(satratln)*LOG(rhoaln) + 1.0636473034653114E-5*tln**2*LOG(satratln)*LOG(rhoaln)+ & & 5.8687098466515866E-9*tln**3*LOG(satratln)*LOG(rhoaln) + (-5.2028866094191509E-3*LOG(satratln)*LOG(rhoaln))/x_n+ & & 7.6971988880587231E-4*LOG(satratln)**2*LOG(rhoaln) - 2.4605575820433763E-5*tln*LOG(satratln)**2*LOG(rhoaln) + & & 2.3818484400893008E-7*tln**2*LOG(satratln)**2*LOG(rhoaln) + & & (-8.8474102392445200E-10)*tln**3*LOG(satratln)**2*LOG(rhoaln) + & & (-1.6640566678168968E-4*LOG(satratln)**2*LOG(rhoaln))/x_n - 7.7390093776705471E-2*LOG(rhoaln)**2 + & & 5.8220163188828482E-4*tln*LOG(rhoaln)**2 + 1.2291679321523287E-6*tln**2*LOG(rhoaln)**2 + & & (-7.4690997508075749E-9)*tln**3*LOG(rhoaln)**2 + (-5.6357941220497648E-3*LOG(rhoaln)**2)/x_n + & & (-4.7170109625089768E-3)*LOG(satratln)*LOG(rhoaln)**2 + 6.9828868534370193E-5*tln*LOG(satratln)*LOG(rhoaln)**2 + & & (-3.1738912157036403E-7)*tln**2*LOG(satratln)*LOG(rhoaln)**2 + & & 2.3975538706787416E-10*tln**3*LOG(satratln)*LOG(rhoaln)**2 + & & (4.2304213386288567E-4*LOG(satratln)*LOG(rhoaln)**2)/x_n + 1.3696520973423231E-3*LOG(rhoaln)**3 + & & (-1.6863387574788199E-5)*tln*LOG(rhoaln)**3 + 2.7959499278844516E-8*tln**2*LOG(rhoaln)**3 + & & 3.9423927013227455E-11*tln**3*LOG(rhoaln)**3 + (8.6136359966337272E-5*LOG(rhoaln)**3)/x_n ntot_n=EXP(ntot_n) rc_n=EXP(-22.378268374023630+0.44462953606125100*x_n+0.33499495707849131*LOG(ntot_n)) !in meters na_n=x_n*ntot_n IF (na_n .LT. 1.) THEN ! print *, 'Warning: number of acid molecules < 1 in nucleation regime, setting na_n=1' na_n=1.0 ENDIF ENDIF ! Set the neutral nucleation rate to 0.0 if less than 1.0E-7 IF (jnuc_n.LT.1.E-7) THEN jnuc_n=0.0 ENDIF !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! Threshold neutral nucleation rate (j > 1/cm3s) parameterization (can be commented out if not needed) IF (tln .GE. 310.) THEN rhoatres=EXP(-2.8220714121794250 + 1.1492362322651116E+1*satratln -3.3034839106184218E+3/tln & & + (-7.1828571490168133E+2*satratln)/tln + 1.4649510835204091E-1*tln & & -3.0442736551916524E-2*satratln*tln -9.3258567137451497E-5*tln**2 & & -1.1583992506895649E+1*LOG(satratln) + (1.5184848765906165E+3*LOG(satratln))/tln & & + 1.8144983916747057E-2*tln*LOG(satratln)) !1/cm3 ENDIF IF (tln .GT. 190. .AND. tln .LT. 310.) THEN rhoatres=EXP(-3.1820396091231999E+2 + 7.2451289153199676*satratln + 2.6729355170089486E+4/tln & & + (-7.1492506076423069E+2*satratln)/tln + 1.2617291148391978*tln & & - 1.6438112080468487E-2*satratln*tln -1.4185518234553220E-3*tln**2 & & -9.2864597847386694*LOG(satratln) + (1.2607421852455602E+3*LOG(satratln))/tln & & + 1.3324434472218746E-2*tln*LOG(satratln)) !1/cm3 ENDIF IF (tln .LT. 185. .AND. tln .GT. 155.) THEN rhoatres=1.1788859232398459E+5 - 1.0244255702550814E+4*satratln + & & 4.6815029684321962E+3*satratln**2 -1.6755952338499657E+2*tln ENDIF !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! Ion-induced nucleation parameterization IF (ipr.GT.0.0) THEN ! if the ion production rate is above zero ! Calculate the ion induced nucleation rate wrt. concentration of 1 ion/cm3 kinrhotresi = 5.3742280876674478E1 - 6.6837931590012266E-3 *LOG(satratli)**(-2) & & - 1.0142598385422842E-01 * LOG(satratli)**(-1) - 6.4170597272606873E+00 * LOG(satratli) & & - 6.4315798914824518E-01 * LOG(satratli)**2 - 2.4428391714772721E-02 * LOG(satratli)**3 & & - 3.5356658734539019E-04 * LOG(satratli)**4 + 2.5400015099140506E-05 * tli * LOG(satratli)**(-2) & & - 2.7928900816637790E-04 * tli * LOG(satratli)**(-1) + 4.4108573484923690E-02 * tli * LOG(satratli) & & + 6.3943789012475532E-03 * tli * LOG(satratli)**(2) + 2.3164296174966580E-04 * tli * LOG(satratli)**(3) & & + 3.0372070669934950E-06 * tli * LOG(satratli)**4 + 3.8255873977423475E-06 * tli**2 * LOG(satratli)**(-1) & & - 1.2344793083561629E-04 * tli**2 * LOG(satratli) - 1.7959048869810192E-05 * tli**2 * LOG(satratli)**(2) & & - 3.2165622558722767E-07 * tli**2 * LOG(satratli)**3 - 4.7136923780988659E-09 * tli**3 * LOG(satratli)**(-1) & & + 1.1873317184482216E-07 * tli**3 * LOG(satratli) + 1.5685860354866621E-08 * tli**3 * LOG(satratli)**2 & & - 1.4329645891059557E+04 * tli**(-1) + 1.3842599842575321E-01 * tli & & - 4.1376265912842938E-04 * tli**(2) + 3.9147639775826004E-07 * tli**3 kinrhotresi=EXP(kinrhotresi) !1/cm3 IF (kinrhotresi.LT.rhoali) kinetic_i=.true. IF (kinetic_i) THEN ! jnuc_i1=1.0E6*(0.3E-9 + 0.487E-9)**2.*SQRT(8.*3.141593*1.38E-23*(1./(1.661E-27*98.07)+1./(1.661E-27*98.07)))* & jnuc_i1=1.0E6*(0.3E-9 + 0.487E-9)**2.*SQRT(8.*RPI*RKBOL*(1./mH2SO4mol+1./mH2SO4mol))* & & SQRT(tli)*rhoali !1/cm3s ntot_i=1. !set to 1 na_i=1. x_i=na_i/ntot_i ! so also set this to 1 rc_i=0.487E-9 ELSE jnuc_i1 = 3.0108954259038608E+01+tli*6.1176722090512577E+01+(tli**2)*8.7240333618891663E-01+(tli**3)* & & (-4.6191788649375719E-03)+(tli**(-1))*8.3537059107024481E-01 + & & (1.5028549216690628E+01+tli*(-1.9310989753720623E-01)+(tli**2)*8.0155514634860480E-04+(tli**3)* & & (-1.0832730707799128E-06)+(tli**(-1))*1.7577660457989019)*(LOG(satratli)**(-2)) + & & (-2.0487870170216488E-01 + tli * 1.3263949252910405E-03 + (tli**2) *(-8.4195688402450274E-06) + & & (tli**3)*1.6154895940993287E-08 + (tli**(-1))*3.8734212545203874E+01) * (LOG(satratli)**(-2)*LOG(rhoali)) + & & (1.4955918863858371 + tli * 9.2290004245522454E+01 + (tli**2) *(-8.9006965195392618E-01) + & & (tli**3) * 2.2319123411013099E-03 + (tli**(-1)) * 4.0180079996840852E-03) * & & (LOG(satratli)**(-1) * LOG(rhoali)**(-1)) + & & (7.9018031228561085 + tli *(-1.1649433968658949E+01) + (tli**2) * 1.1400827854910951E-01 + & & (tli**3) *(-3.1941526492127755E-04) + (tli**(-1)) *(-3.7662115740271446E-01)) * (LOG(satratli)**(-1)) + & & (1.5725237111225979E+02 + tli *(-1.0051649979836277) + (tli**2) * 1.1866484014507624E-03 + & & (tli**3) * 7.3557614998540389E-06 + (tli**(-1)) * 2.6270197023115189) * (LOG(satratli)**(-1) * LOG(rhoali)) + & & (-1.6973840122470968E+01 + tli * 1.1258423691432135E-01 + (tli**2) *(-2.9850139351463793E-04) + (tli**3) * & & 1.4301286324827064E-07 + (tli**(-1)) * 1.3163389235253725E+01) * (LOG(satratli)**(-1) * LOG(rhoali)**2) + & & (-1.0399591631839757 + tli * 2.7022055588257691E-03 + (tli**2) *(-2.1507467231330936E-06) + (tli**3) * & & 3.8059489037584171E-10 + (tli**(-1)) * 1.5000492788553410E+02) * (LOG(satratli)**(-1) * LOG(rhoali)**3) + & & (1.2250990965305315 + tli * 3.0495946490079444E+01 + (tli**2) * 2.1051563135187106E+01 + (tli**3) * & & (-8.2200682916580878E-02) + (tli**(-1)) * 2.9965871386685029E-02) * (LOG(rhoali)**(-2)) + & & (4.8281605955680433 + tli * 1.7346551710836445E+02 + (tli**2) *(-1.0113602140796010E+01) + (tli**3) * & & 3.7482518458685089E-02 + (tli**(-1)) *(-1.4449998158558205E-01)) * (LOG(rhoali)**(-1)) + & & (2.3399230964451237E+02 + tli *(-2.3099267235261948E+01) + (tli**2) * 8.0122962140916354E-02 + & & (tli**3) * 6.1542576994557088E-05 + (tli**(-1)) * 5.3718413254843007) * (LOG(rhoali)) + & & (1.0299715519499360E+02 + tli *(-6.4663357203364136E-02) + (tli**2) *(-2.0487150565050316E-03) + & & (tli**3) * 8.7935289055530897E-07 + (tli**(-1)) * 3.6013204601215229E+01) * (LOG(rhoali)**2) + & & (-3.5452115439584042 + tli * 1.7083445731159330E-02 + (tli**2) *(-1.2552625290862626E-05) + (tli**3) * & & 1.2968447449182847E-09 + (tli**(-1)) * 1.5748687512056560E+02) * (LOG(rhoali)**3) + & & (2.2338490119517975 + tli * 1.0229410216045540E+02 + (tli**2) *(-3.2103611955174052) + (tli**3) * & & 1.3397152304977591E-02 + (tli**(-1)) *(-2.4155187776460030E-02)) * (LOG(satratli)* LOG(rhoali)**(-2)) + & & (3.7592282990713963 + tli *(-1.5257988769009816E+02) + (tli**2) * 2.6113805420558802 + (tli**3) * & & (-9.0380721653694363E-03) + (tli**(-1)) *(-1.3974197138171082E-01)) * (LOG(satratli)* LOG(rhoali)**(-1)) + & & (1.8293600730573988E+01 + tli * 1.8344728606002992E+01 + (tli**2) *(-4.0063363221106751E-01) + (tli**3) & & * 1.4842749371258522E-03 + (tli**(-1)) * 1.1848846003282287) * (LOG(satratli)) + & & (-1.7634531623032314E+02 + tli * 4.9011762441271278 + (tli**2) *(-1.3195821562746339E-02) + (tli**3) * & & (-2.8668619526430859E-05) + (tli**(-1)) *(-2.9823396976393551E-01)) * (LOG(satratli)* LOG(rhoali)) + & & (-3.2944043694275727E+01 + tli * 1.2517571921051887E-01 + (tli**2) * 8.3239769771186714E-05 + (tli**3) * & & 2.8191859341519507E-07 + (tli**(-1)) *(-2.7352880736682319E+01)) * (LOG(satratli)* LOG(rhoali)**2) + & & (-1.1451811137553243 + tli * 2.0625997485732494E-03 + (tli**2) *(-3.4225389469233624E-06) + (tli**3) * & & 4.4437613496984567E-10 + (tli**(-1)) * 1.8666644332606754E+02) * (LOG(satratli)* LOG(rhoali)**3) + & & (3.2270897099493567E+01 + tli * 7.7898447327513687E-01 + (tli**2) *(-6.5662738484679626E-03) + (tli**3) * & & 3.7899330796456790E-06 + (tli**(-1)) * 7.1106427501756542E-01) * (LOG(satratli)**2 * LOG(rhoali)**(-1)) + & & (-2.8901906781697811E+01 + tli *(-1.5356398793054860) + (tli**2) * 1.9267271774384788E-02 + (tli**3) * & & (-5.3886270475516162E-05) + (tli**(-1)) * 5.0490415975693426E-01) * (LOG(satratli)**2) + & & (3.3365683645733924E+01 + tli *(-3.6114561564894537E-01) + (tli**2) * 9.2977354471929262E-04 + (tli**3) * & & 1.9549769069511355E-07 + (tli**(-1)) *(-8.8865930095112855)) * (LOG(satratli)**2 * LOG(rhoali)) + & & (2.4592563042806375 + tli *(-8.3227071743101084E-03) + (tli**2) * 8.2563338043447783E-06 + (tli**3) * & & (-8.4374976698593496E-09) + (tli**(-1)) *(-2.0938173949893473E+02)) * (LOG(satratli)**2 * LOG(rhoali)**2) + & & (4.4099823444352317E+01 + tli * 2.5915665826835252 + (tli**2) *(-1.6449091819482634E-02) + (tli**3) * & & 2.6797249816144721E-05 + (tli**(-1)) * 5.5045672663909995E-01)* satratli jnuc_i1=EXP(jnuc_i1) ntot_i = ABS((-4.8324296064013375E+04 + tli * 5.0469120697428906E+02 + (tli**2) *(-1.1528940488496042E+00) + & & (tli**(-1)) *(-8.6892744676239192E+02) + (tli**(3)) * 4.0030302028120469E-04) + & & (-6.7259105232039847E+03 + tli * 1.9197488157452008E+02 + (tli**2) *(-1.3602976930126354E+00) + & & (tli**(-1)) *(-1.1212637938360332E+02) + (tli**(3)) * 2.8515597265933207E-03) * & & LOG(satratli)**(-2) * LOG(rhoali)**(-2) + & & (2.6216455217763342E+02 + tli *(-2.3687553252750821E+00) + (tli**2) * 7.4074554767517521E-03 + & & (tli**(-1)) *(-1.9213956820114927E+03) + (tli**(3)) *(-9.3839114856129453E-06)) * LOG(satratli)**(-2) + & & (3.9652478944137344E+00 + tli * 1.2469375098256536E-02 + (tli**2) *(-9.9837754694045633E-05) + (tli**(-1)) * & & (-5.1919499210175138E+02) + (tli**(3)) * 1.6489001324583862E-07) * LOG(satratli)**(-2) * LOG(rhoali) + & & (2.4975714429096206E+02 + tli * 1.7107594562445172E+02 + (tli**2) *(-7.8988711365135289E-01) + (tli**(-1)) * & & (-2.2243599782483177E+01) + (tli**(3)) *(-1.6291523004095427E-04)) * LOG(satratli)**(-1) * LOG(rhoali)**(-2) +& & (-8.9270715592533611E+02 + tli * 1.2053538883338946E+02 + (tli**2) *(-1.5490408828541018E+00) + (tli**(-1)) * & & (-1.1243275579419826E+01) + (tli**(3)) * 4.8053105606904655E-03) * LOG(satratli)**(-1) * LOG(rhoali)**(-1) + & & (7.6426441642091631E+03 + tli *(-7.1785462414656578E+01) + (tli**2) * 2.3851864923199523E-01 + (tli**(-1)) * & & 8.5591775688708395E+01 + (tli**(3)) *(-3.7000473243342858E-04)) * LOG(satratli)**(-1) + & & (-5.1516826398607911E+01 + tli * 9.1385720811460558E-01 + (tli**2) *(-3.5477100262158974E-03) + & & (tli**(-1)) * 2.7545544507625586E+03 + (tli**(3)) * 5.4708262093640928E-06) * LOG(satratli)**(-1) * LOG(rhoali) + & & (-3.0386767129196176E+02 + tli *(-1.1033438883583569E+04) + (tli**2) * 8.1296859732896067E+01 + (tli**(-1)) * & & 1.2625883141097162E+01 + (tli**(3)) *(-1.2728497822219101E-01)) * LOG(rhoali)**(-2) + & & (-3.3763494256461472E+03 + tli * 3.1916579136391006E+03 + (tli**2) *(-2.7234339474441143E+01) + (tli**(-1)) * & & (-2.1897653262707397E+01) + (tli**(3)) * 5.1788505812259071E-02) * LOG(rhoali)**(-1) + & & (-1.8817843873687068E+03 + tli * 4.3038072285882070E+00 + (tli**2) * 6.6244087689671860E-03 + (tli**(-1)) * & & (-2.7133073605696295E+03) + (tli**(3)) *(-1.7951557394285043E-05)) * LOG(rhoali) + & & (-1.7668827539244447E+02 + tli * 4.8160932330629913E-01 + (tli**2) *(-6.3133007671100293E-04) + (tli**(-1)) * & & 2.5631774669873157E+04 + (tli**(3)) * 4.1534484127873519E-07) * LOG(rhoali)**(2) + & & (-1.6661835889222382E+03 + tli * 1.3708900504682877E+03 + (tli**2) *(-1.7919060052198969E+01) + (tli**(-1)) * & & (-3.5145029804436405E+01) + (tli**(3)) * 5.1047240947371224E-02) * LOG(satratli)* LOG(rhoali)**(-2) + & & (1.0843549363030939E+04 + tli *(-7.3557073636139577E+01) + (tli**2) * 1.2054625131778862E+00 + (tli**(-1)) * & & 1.9358737917864391E+02 + (tli**(3)) *(-4.2871620775911338E-03)) * LOG(satratli)* LOG(rhoali)**(-1) + & & (-2.4269802549752835E+03 + tli * 1.1348265061941714E+01 + (tli**2) *(-5.0430423939495157E-02) + (tli**(-1)) * & & 2.3709874548950634E+03 + (tli**(3)) * 1.4091851828620244E-04) * LOG(satratli) + & & (5.2745372575251588E+02 + tli *(-2.6080675912627314E+00) + (tli**2) * 5.6902218056670145E-03 + (tli**(-1)) * & & (-3.2149319482897838E+04) + (tli**(3)) *(-5.4121996056745853E-06)) * LOG(satratli)* LOG(rhoali) + & & (-1.6401959518360403E+01 + tli * 2.4322962162439640E-01 + (tli**2) * 1.1744366627725344E-03 + (tli**(-1)) * & & (-8.2694427518413195E+03) + (tli**(3)) *(-5.0028379203873102E-06))* LOG(satratli)**(2) + & & (-2.7556572017167782E+03 + tli * 4.9293344495058264E+01 + (tli**2) *(-2.6503456520676050E-01) + (tli**(-1)) * & & 1.2130698030982167E+03 + (tli**(3)) * 4.3530610668042957E-04)* LOG(satratli)**2 * LOG(rhoali)**(-1) + & & (-6.3419182228959192E+00 + tli * 4.0636212834605827E-02 + (tli**2) *(-1.0450112687842742E-04) + (tli**(-1)) * & & 3.1035882189759656E+02 + (tli**(3)) * 9.4328418657873500E-08)* LOG(satratli)**(-3) + & & (3.0189213304689042E+03 + tli *(-2.3804654203861684E+01) + (tli**2) * 6.8113013411972942E-02 + (tli**(-1)) * & & 6.3112071081188913E+02 + (tli**(3)) *(-9.4460854261685723E-05))* (satratli) * LOG(rhoali) + & & (1.1924791930673702E+04 + tli *(-1.1973824959206000E+02) + (tli**2) * 1.6888713097971020E-01 + (tli**(-1)) * & & 1.8735938211539585E+02 + (tli**(3)) * 5.0974564680442852E-04)* (satratli) + & & (3.6409071302482083E+01 + tli * 1.7919859306449623E-01 + (tli**2) *(-1.0020116255895206E-03) + (tli**(-1)) * & & (-8.3521083354432303E+03) + (tli**(3)) * 1.5879900546795635E-06)* satratli * LOG(rhoali)**(2)) rc_i = (-3.6318550637865524E-08 + tli * 2.1740704135789128E-09 + (tli**2) * & & (-8.5521429066506161E-12) + (tli**3) *(-9.3538647454573390E-15)) + & & (2.1366936839394922E-08 + tli *(-2.4087168827395623E-10) + (tli**2) * 8.7969869277074319E-13 + & & (tli**3) *(-1.0294466881303291E-15))* LOG(satratli)**(-2) * LOG(rhoali)**(-1) + & & (-7.7804007761164303E-10 + tli * 1.0327058173517932E-11 + (tli**2) *(-4.2557697639692428E-14) + & & (tli**3) * 5.4082507061618662E-17)* LOG(satratli)**(-2) + & & (3.2628927397420860E-12 + tli *(-7.6475692919751066E-14) + (tli**2) * 4.1985816845259788E-16 + & & (tli**3) *(-6.2281395889592719E-19))* LOG(satratli)**(-2) * LOG(rhoali) + & & (2.0442205540818555E-09 + tli * 4.0441858911249830E-08 + (tli**2) *(-3.3423487629482825E-10) + & & (tli**3) * 6.8000404742985678E-13)* LOG(satratli)**(-1) * LOG(rhoali)**(-2) + & & (1.8381489183824627E-08 + tli *(-8.9853322951518919E-09) + (tli**2) * 7.5888799566036185E-11 + & & (tli**3) *(-1.5823457864755549E-13))* LOG(satratli)**(-1) * LOG(rhoali)**(-1) + & & (1.1795760639695057E-07 + tli *(-8.1046722896375875E-10) + (tli**2) * 9.1868604369041857E-14 + & & (tli**3) * 4.7882428237444610E-15)* LOG(satratli)**(-1) + & & (-4.4028846582545952E-09 + tli * 4.6541269232626618E-11 + (tli**2) *(-1.1939929984285194E-13) + & & (tli**3) * 2.3602037016614437E-17)* LOG(satratli)**(-1) * LOG(rhoali) + & & (2.7885056884209128E-11 + tli *(-4.5167129624119121E-13) + (tli**2) * 1.6558404997394422E-15 + & & (tli**3) *(-1.2037336621218054E-18))* LOG(satratli)**(-1) * LOG(rhoali)**2 + & & (-2.3719627171699983E-09 + tli *(-1.5260127909292053E-07) + (tli**2) * 1.7177017944754134E-09 + & & (tli**3) *(-4.7031737537526395E-12))* LOG(rhoali)**(-2) + & & (-5.6946433724699646E-09 + tli * 8.4629788237081735E-09 + (tli**2) *(-1.7674135187061521E-10) + & & (tli**3) * 6.6236547903091862E-13)* LOG(rhoali)**(-1) + & & (-2.2808617930606012E-08 + tli * 1.4773376696847775E-10 + (tli**2) *(-1.3076953119957355E-13) + & & (tli**3) * 2.3625301497914000E-16)* LOG(rhoali) + & & (1.4014269939947841E-10 + tli *(-2.3675117757377632E-12) + (tli**2) * 5.1514033966707879E-15 + & & (tli**3) *(-4.8864233454747856E-18))* LOG(rhoali)**2 + & & (6.5464943868885886E-11 + tli * 1.6494354816942769E-08 + (tli**2) *(-1.7480097393483653E-10) + & & (tli**3) * 4.7460075628523984E-13)* LOG(satratli)* LOG(rhoali)**(-2) + & & (8.4737893183927871E-09 + tli *(-6.0243327445597118E-09) + (tli**2) * 5.8766070529814883E-11 + & & (tli**3) *(-1.4926748560042018E-13))* LOG(satratli)* LOG(rhoali)**(-1) + & & (1.0761964135701397E-07 + tli *(-1.0142496009071148E-09) + (tli**2) * 2.1337312466519190E-12 + & & (tli**3) * 1.6376014957685404E-15)* LOG(satratli) + & & (-3.5621571395968670E-09 + tli * 4.1175339587760905E-11 + (tli**2) *(-1.3535372357998504E-13) + & & (tli**3) * 8.9334219536920720E-17)* LOG(satratli)* LOG(rhoali) + & & (2.0700482083136289E-11 + tli *(-3.9238944562717421E-13) + (tli**2) * 1.5850961422040196E-15 + & & (tli**3) *(-1.5336775610911665E-18))* LOG(satratli)* LOG(rhoali)**2 + & & (1.8524255464416206E-09 + tli *(-2.1959816152743264E-11) + (tli**2) *(-6.4478119501677012E-14) + & & (tli**3) * 5.5135243833766056E-16)* LOG(satratli)**2 * LOG(rhoali)**(-1) + & & (1.9349488650922679E-09 + tli *(-2.2647295919976428E-11) + (tli**2) * 9.2917479748268751E-14 + & & (tli**3) *(-1.2741959892173170E-16))* LOG(satratli)**2 + & & (2.1484978031650972E-11 + tli *(-9.3976642475838013E-14) + (tli**2) *(-4.8892738002751923E-16) + & & (tli**3) * 1.4676120441783832E-18)* LOG(satratli)**2 * LOG(rhoali) + & & (6.7565715216420310E-13 + tli *(-3.5421162549480807E-15) + (tli**2) *(-3.4201196868693569E-18) + & & (tli**3) * 2.2260187650412392E-20)* LOG(satratli)**3 * LOG(rhoali) na_i=x_i*ntot_i IF (na_i .LT. 1.) THEN ! print *, 'Warning: number of acid molecules < 1 in nucleation regime, setting na_n=1' na_n=1.0 ENDIF ENDIF jnuc_i=jnuc_i1 ! Ion loss rate (1/s) xloss=csi+jnuc_i ! Recombination (here following Brasseur and Chatel, 1983) recomb=6.0E-8*SQRT(300./tli)+6.0E-26*airn*(300./tli)**4 ! Small ion concentration in air (1/cm3) (following Dunne et al., 2016) ! max function is to avoid n_i to go practically zero at very high J_ion n_i=MAX(0.01,(SQRT(xloss**2.0+4.0*recomb*ipr)-xloss)/(2.0*recomb)) ! Ion-induced nucleation rate ! Min function is to ensure that max function above does not cause J_ion to overshoot jnuc_i=MIN(ipr,n_i*jnuc_i1) ! Set the ion-induced nucleation rate to 0.0 if less than 1.0E-7 IF (jnuc_i.LT.1.E-7) THEN jnuc_i=0.0 ENDIF ENDIF !--conversion from double precision to float in case the model is run in single precision jnuc_n_real = jnuc_n ntot_n_real = ntot_n jnuc_i_real = jnuc_i ntot_i_real = ntot_i x_n_real = x_n x_i_real = x_i na_n_real = na_n na_i_real = na_i rc_n_real = rc_n rc_i_real = rc_i n_i_real = n_i rhoatres_real = rhoatres END SUBROUTINE newbinapara END MODULE nucleation_tstep_mod