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bin_microphysics_module.f90
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bin_microphysics_module.f90
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!>@author
!>Paul Connolly, The University of Manchester
!>@brief
!>code to allocate arrays, and call activation
module bmm
use numerics_type
use numerics, only : find_pos, poly_int
!>@author
!>Paul J. Connolly, The University of Manchester
!>@brief
!>variables and types for the bin microphysics model
implicit none
! constants for the bin microphysics model
real(wp), parameter :: r_gas=8.314_wp, molw_a=29.e-3_wp,molw_water=18.e-3_wp, &
cp=1005.0_wp, cpv=1870._wp, cpw=4.27e3_wp, cpi=2104.6_wp, &
grav=9.81_wp, &
lv=2.5e6_wp, ls=2.837e6_wp, lf=ls-lv, ttr=273.15_wp, &
joules_in_an_erg=1.0e-7_wp,joules_in_a_cal=4.187e0_wp, &
rhow=1000._wp, ra=r_gas/molw_a,rv=r_gas/molw_water , &
eps1=ra/rv, rhoice=910._wp, &
mass_fragment1=pi/6._wp*rhoice*10.e-6_wp**3._wp, &
mass_fragment2=mass_fragment1, &
mass_fragment3=mass_fragment1, &
gam_fac_ent=1._wp/(1._wp+0.5_wp), & ! P+K, 12-25
gam_fac_ent2=1._wp+0.5_wp, &
onethird=1._wp/3._wp, &
twothirds=2._wp/3._wp, fourthirds=4._wp/3._wp
logical :: l_inhom
type parcel
! variables for bin model
integer(i4b) :: n_bins1,n_modes,n_comps, n_bin_mode, n_bin_modew, n_bin_mode1, &
n_sound, ice_flag, sce_flag
real(wp) :: dt
real(wp), dimension(:,:), allocatable :: q_sound
real(wp), dimension(:), allocatable :: t_sound, z_sound, rh_sound, &
p_sound, theta_q_sound
real(wp) :: z,p,t,w,rh, rad,qinit, t_cbase, q_cbase, p_cbase, z_cbase, &
t_ctop, q_ctop, p_ctop, z_ctop, theta_q_cbase, theta_q_ctop, &
x_ent, theta_q, zlast
! liquid water
real(wp), dimension(:), allocatable :: d, maer, npart, rho_core, &
rh_eq, rhoat, dw, da_dt, ndrop, npartall, npart_ent, &
npart_temp, npart_temp2
real(wp), dimension(:,:), allocatable :: mbin, mbinall, rhobin, &
nubin,molwbin,kappabin, &
mbin_ent, &
mbin_temp, mbin_temp2 ! all bins x all comps
! variables for ODE:
integer(i4b) :: neq, itol, ipr, ite, iz, iw, irh, ira, &
itask, istate, iopt, mf, lrw, liw
integer(i4b), dimension(:), allocatable :: iwork
integer(i4b), dimension(1) :: ipar
real(wp) :: tt, tout
real(wp), dimension(:), allocatable :: y, yold, atol, rwork
real(wp), dimension(1) :: rpar
real(wp), dimension(1) :: rtol
! ice water
real(wp), dimension(:), allocatable :: dice, maerice, npartice, rho_coreice, &
rh_eqice, rhoatice, dwice, da_dtice, nice, &
phi, rhoi, nump, rime
real(wp), dimension(:,:), allocatable :: mbinice, rhobinice, &
nubinice,molwbinice,kappabinice ! all bins x all comps
! general
integer(i4b) :: imoms
real(wp), allocatable, dimension(:,:) :: moments, mbinedges,ecoll,ecoal, &
moments_ent, mbinedges_ent, &
moments_temp, mbinedges_temp, &
mbinedges_temp2
real(wp), allocatable, dimension(:) :: momtemp, vel
integer(i4b), allocatable, dimension(:) :: momenttype
integer(i4b), dimension(:,:), allocatable :: indexc
! variables for ODE:
integer(i4b) :: neqice, itolice, ipri, itei, izi, iwi, irhi, &
itaskice, istateice, ioptice, mfice, lrwice, liwice
integer(i4b), dimension(:), allocatable :: iworkice
integer(i4b), dimension(1) :: iparice
real(wp) :: ttice, toutice, totaddto
real(wp), dimension(1) :: rtolice
real(wp), dimension(:), allocatable :: yice, yoldice, atolice, rworkice
real(wp), dimension(1) :: rparice
logical :: break_flag=.false.
end type parcel
type sounding
! variables for grid
integer(i4b) :: n_levels
real(wp), dimension(:,:), allocatable :: q
real(wp), dimension(:), allocatable :: theta, p, z, rh
end type sounding
type io
! variables for io
integer(i4b) :: ncid, varid, x_dimid, bin_dimid, bin2_dimid, bin3_dimid, &
mode_dimid, comp_dimid, y_dimid, z_dimid, &
dimids(2), a_dimid, xx_dimid, yy_dimid, &
zz_dimid, i_dimid, j_dimid, k_dimid, nq_dimid, nprec_dimid
integer(i4b) :: icur=1
logical :: new_file=.true.
end type io
! declare a parcel type
type(parcel) :: parcel1
! declare a sounding type
type(sounding) :: sounding1
! declare an io type
type(io) :: io1
! some namelist variables
logical :: micro_init=.true., adiabatic_prof=.false., vert_ent=.false.
real(wp) :: ent_rate, dmina,dmaxa
real(wp) :: zinit,tpert,winit,winit2, amplitude2, tau2, &
tinit,pinit,rhinit,radinit,z_ctop, alpha_therm, alpha_cond, &
alpha_therm_ice, alpha_dep, thresh_to_start_hom_mix
integer(i4b) :: microphysics_flag=0, kappa_flag,updraft_type, vent_flag, &
sce_flag=0,ice_flag=0, bin_scheme_flag=1, entrain_period=0
logical :: use_prof_for_tprh, hm_flag, mode1_flag, mode2_flag, bubble_flag, &
release_aerosol, entrain_aerosol
integer(i4b) :: break_flag, ice_nucleation_flag=0
real(wp) :: dz,dt, runtime, t_thresh
! sounding spec
real(wp) :: psurf, tsurf
integer(i4b), parameter :: nlevels_r=1000
integer(i4b), parameter :: nq=3
integer(i4b) :: n_levels_s, idum, n_sel
real(wp) :: mult, rh_act
real(wp), allocatable, dimension(:,:) :: q_read !nq x nlevels_r
real(wp), allocatable, dimension(:) :: theta_read,rh_read, z_read
! aerosol setup
integer(i4b) :: n_intern, n_mode,n_sv,sv_flag,n_bins,n_comps
! aerosol_spec
real(wp), allocatable, dimension(:,:) :: n_aer1,d_aer1,sig_aer1, mass_frac_aer1
real(wp), allocatable, dimension(:) :: molw_core1,density_core1,nu_core1, &
kappa_core1
real(wp), allocatable, dimension(:) :: org_content1, molw_org1, kappa_org1, &
density_org1, delta_h_vap1,nu_org1,log_c_star1
! variables for model
real(wp) :: theta_surf,theta_init, &
theta_q_sat,t1old, p111, w_cb, n_dummy, d_dummy, x2old=1.0_wp, &
wvenv_send, tenv_send, ratio_send, mu_send=0.0_wp, radius_send, w_send, &
dilute_send, wv_send
logical :: set_theta_q_cb_flag=.true.
integer(i4b) :: entrain_count=0
! Chen and Lamb (1994) Gamma variable fit (scaled and centred logarithm)
integer(i4b), parameter :: n_cl=18
real(wp), dimension(n_cl), parameter :: gam_cl=[-0.072328469664620_wp, &
-0.324623262465577_wp, 0.363138099937540_wp, 3.323089908344732_wp, &
0.874844989423720_wp, &
-13.554426432462339_wp, -9.810322482346461_wp, 27.846739088352344_wp, &
26.480447842355410_wp,&
-29.890199206698309_wp, -32.327548996894521_wp, 15.827423311652167_wp, &
18.466605783503052_wp, -4.158566361058538_wp, -5.039533848938808_wp, &
1.477272813054374_wp, 1.038600921563425_wp, -0.457007828432810_wp]
real(wp), dimension(2), parameter :: gam_mu_cl=[260.163817050062335_wp, &
8.274747821396463_wp]
character (len=200) :: outputfile='output', scefile='input'
!private
!public :: read_in_bmm_namelist, initialise_bmm_arrays, bmm_driver, io1
public
private :: outputfile
contains
!>@author
!>Paul J. Connolly, The University of Manchester
!>@brief
!>allocate arrays for activation code
!>@param[in] n_intern: number of aerosol modes of same kind
!>@param[in] n_mode: number of aerosol modes
!>@param[in] n_sv: number of organic / volatility modes
!>@param[in] n_bins: number of size bins in a mode
!>@param[in] n_comps: number of different compositions in a mode
!>@param[in] nq: number of q-variables in sounding
!>@param[in] n_levels_s: number of levels in sounding
!>@param[inout] q_read, theta_read, rh_read, z_read: sounding
!>@param[inout] n_aer1: number conc. in modes
!>@param[inout] d_aer1: diameter in modes
!>@param[inout] sig_aer1: geo std in modes
!>@param[inout] mass_frac_aer1:mass_fraction of each component
!>@param[inout] molw_core1:molw in core
!>@param[inout] density_core1: solute density
!>@param[inout] nu_core1: van hoff factor
!>@param[inout] kappa_core1: kappa parameter
!>@param[inout] org_content1: organic content in vol bins
!>@param[inout] molw_org1: molw in volatility bins
!>@param[inout] kappa_org1: kappa in volatility bins
!>@param[inout] density_org1: density in volatility bins
!>@param[inout] delta_h_vap1: enthalpy in volatility bins
!>@param[inout] nu_org1: van hoff factor in volatility bins
!>@param[inout] log_c_star1: log_c_star in volatility bins
subroutine allocate_arrays(n_intern,n_mode,n_sv,n_bins,n_comps,nq,n_levels_s, &
q_read,theta_read,rh_read,z_read, &
n_aer1,d_aer1,sig_aer1,mass_frac_aer1, molw_core1, &
density_core1, nu_core1, kappa_core1, &
org_content1,molw_org1,kappa_org1,density_org1, &
delta_h_vap1,nu_org1,log_c_star1)
use numerics_type
implicit none
integer(i4b), intent(in) :: n_intern, n_mode, n_sv, n_bins,n_comps, nq, &
n_levels_s
real(wp), dimension(:), allocatable, intent(inout) :: theta_read,rh_read,z_read, &
org_content1,molw_org1,kappa_org1, &
density_org1,delta_h_vap1,nu_org1,log_c_star1
real(wp), dimension(:,:), allocatable, intent(inout) :: q_read, &
n_aer1,d_aer1,sig_aer1,mass_frac_aer1
real(wp), dimension(:), allocatable, intent(inout) :: molw_core1,density_core1, &
nu_core1,kappa_core1
integer(i4b) :: AllocateStatus
allocate( q_read(1:nq,1:n_levels_s), STAT = AllocateStatus)
if (AllocateStatus /= 0) STOP "*** Not enough memory ***"
allocate( theta_read(1:n_levels_s), STAT = AllocateStatus)
if (AllocateStatus /= 0) STOP "*** Not enough memory ***"
allocate( rh_read(1:n_levels_s), STAT = AllocateStatus)
if (AllocateStatus /= 0) STOP "*** Not enough memory ***"
allocate( z_read(1:n_levels_s), STAT = AllocateStatus)
if (AllocateStatus /= 0) STOP "*** Not enough memory ***"
allocate( n_aer1(1:n_intern,1:n_mode), STAT = AllocateStatus)
if (AllocateStatus /= 0) STOP "*** Not enough memory ***"
allocate( d_aer1(1:n_intern,1:n_mode), STAT = AllocateStatus)
if (AllocateStatus /= 0) STOP "*** Not enough memory ***"
allocate( sig_aer1(1:n_intern,1:n_mode), STAT = AllocateStatus)
if (AllocateStatus /= 0) STOP "*** Not enough memory ***"
allocate( mass_frac_aer1(1:n_mode,1:n_comps), STAT = AllocateStatus)
if (AllocateStatus /= 0) STOP "*** Not enough memory ***"
allocate( molw_core1(1:n_comps), STAT = AllocateStatus)
if (AllocateStatus /= 0) STOP "*** Not enough memory ***"
allocate( density_core1(1:n_comps), STAT = AllocateStatus)
if (AllocateStatus /= 0) STOP "*** Not enough memory ***"
allocate( nu_core1(1:n_comps), STAT = AllocateStatus)
if (AllocateStatus /= 0) STOP "*** Not enough memory ***"
allocate( kappa_core1(1:n_comps), STAT = AllocateStatus)
if (AllocateStatus /= 0) STOP "*** Not enough memory ***"
allocate( org_content1(1:n_sv), STAT = AllocateStatus)
if (AllocateStatus /= 0) STOP "*** Not enough memory ***"
allocate( molw_org1(1:n_sv), STAT = AllocateStatus)
if (AllocateStatus /= 0) STOP "*** Not enough memory ***"
allocate( kappa_org1(1:n_sv), STAT = AllocateStatus)
if (AllocateStatus /= 0) STOP "*** Not enough memory ***"
allocate( density_org1(1:n_sv), STAT = AllocateStatus)
if (AllocateStatus /= 0) STOP "*** Not enough memory ***"
allocate( delta_h_vap1(1:n_sv), STAT = AllocateStatus)
if (AllocateStatus /= 0) STOP "*** Not enough memory ***"
allocate( nu_org1(1:n_sv), STAT = AllocateStatus)
if (AllocateStatus /= 0) STOP "*** Not enough memory ***"
allocate( log_c_star1(1:n_sv), STAT = AllocateStatus)
if (AllocateStatus /= 0) STOP "*** Not enough memory ***"
end subroutine allocate_arrays
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
! read in the namelist !
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!>@author
!>Paul J. Connolly, The University of Manchester
!>@brief
!>read in the data from the namelists for the bin microphysics model
!>@param[in] nmlfile
subroutine read_in_bmm_namelist(nmlfile)
implicit none
character (len=200), intent(in) :: nmlfile
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
! namelists !
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
namelist /sounding_spec/ psurf, tsurf, &
q_read, theta_read, rh_read, z_read
! define namelists for environment
namelist /run_vars/ outputfile, scefile,runtime, dt, &
zinit,tpert,use_prof_for_tprh,winit,winit2,amplitude2, &
tinit,pinit,rhinit, radinit, bubble_flag, &
microphysics_flag, ice_flag, bin_scheme_flag, sce_flag, &
ice_nucleation_flag, &
hm_flag, break_flag, mode1_flag, mode2_flag, vent_flag, &
kappa_flag, updraft_type,t_thresh, adiabatic_prof, &
entrain_period, thresh_to_start_hom_mix, release_aerosol, &
entrain_aerosol, vert_ent, &
z_ctop, ent_rate,n_levels_s, &
alpha_therm,alpha_cond,alpha_therm_ice,alpha_dep
namelist /aerosol_setup/ n_intern,n_mode,n_sv,sv_flag, n_bins,n_comps
namelist /aerosol_spec/ n_aer1,d_aer1,sig_aer1, dmina,dmaxa, &
mass_frac_aer1, molw_core1, &
density_core1,nu_core1,kappa_core1, &
org_content1, molw_org1,kappa_org1, &
density_org1, delta_h_vap1,nu_org1, log_c_star1
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
! read in namelists and allocate arrays !
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
open(8,file=nmlfile,status='old', recl=80, delim='apostrophe')
read(8,nml=run_vars)
read(8,nml=aerosol_setup)
! allocate memory / init
call allocate_arrays(n_intern,n_mode,n_sv,n_bins,n_comps,nq,n_levels_s, &
q_read,theta_read,rh_read,z_read, &
n_aer1,d_aer1,sig_aer1,mass_frac_aer1, molw_core1, &
density_core1, nu_core1, kappa_core1, &
org_content1,molw_org1,kappa_org1,density_org1, &
delta_h_vap1,nu_org1,log_c_star1)
read(8,nml=sounding_spec)
read(8,nml=aerosol_spec)
close(8)
tau2 = 2._wp*pi/winit2*amplitude2
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
end subroutine read_in_bmm_namelist
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
! initialise arrays !
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!>@author
!>Paul J. Connolly, The University of Manchester
!>@brief
!>interpolates the sounding to the grid
subroutine initialise_bmm_arrays(psurf, tsurf, q_read, theta_read, rh_read, z_read, &
runtime, dt, zinit, tpert, use_prof_for_tprh, winit, tinit, pinit, &
rhinit, radinit, bubble_flag, &
microphysics_flag, ice_flag, bin_scheme_flag, vent_flag, &
kappa_flag, updraft_type, adiabatic_prof, vert_ent, z_ctop, &
ent_rate, n_levels_s, alpha_therm, alpha_cond, alpha_therm_ice, &
alpha_dep, n_intern, n_mode, n_sv, sv_flag, n_bins, n_comps, &
n_aer1,d_aer1,sig_aer1,dmina,dmaxa,mass_frac_aer1,molw_core1, &
density_core1, nu_core1, kappa_core1, org_content1, molw_org1, &
kappa_org1, density_org1, delta_h_vap1,nu_org1, log_c_star1, &
sce_flag)
use numerics_type
use numerics, only : find_pos, poly_int, zeroin, fmin,vode_integrate
implicit none
logical, intent(in) :: use_prof_for_tprh, adiabatic_prof, vert_ent, bubble_flag
integer(i4b), intent(in) :: microphysics_flag, ice_flag, bin_scheme_flag, vent_flag, &
kappa_flag, updraft_type, n_levels_s,n_intern, n_mode, n_sv, &
sv_flag, n_bins, n_comps, sce_flag
real(wp), intent(in) :: psurf, radinit, &
tsurf, runtime, dt, zinit, tpert, winit, tinit, &
pinit, rhinit, alpha_therm, alpha_cond, alpha_therm_ice, &
alpha_dep, dmina,dmaxa, z_ctop, ent_rate
real(wp), dimension(1:n_levels_s), intent(in) :: theta_read, rh_read, z_read
real(wp), dimension(1:nq,1:n_levels_s), intent(in) :: q_read
real(wp), dimension(1:n_intern,1:n_mode), intent(in) :: n_aer1,d_aer1,sig_aer1
real(wp), dimension(1:n_mode,1:n_comps), intent(in) :: mass_frac_aer1
real(wp), dimension(1:n_comps), intent(in) :: molw_core1, density_core1, &
nu_core1, kappa_core1
real(wp), dimension(1:n_sv), intent(in) :: org_content1, molw_org1, kappa_org1, &
density_org1, delta_h_vap1, nu_org1, log_c_star1
real(wp) :: num, ntot, number_per_bin, test, var1, &
eps2, z1, z2, htry, hmin, var, dummy
real(wp), dimension(1) :: p1, z11
real(wp) :: p11, p22, rm, cpm
integer(i4b) :: i,j,k, AllocateStatus, iloc
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
! set variables and allocate arrays in parcel !
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
parcel1%n_sound=n_levels_s
parcel1%n_bins1=n_bins
parcel1%n_modes=n_mode
parcel1%n_comps=n_comps
parcel1%n_bin_modew=n_bins*n_mode
parcel1%n_bin_mode1=(n_bins+1)*n_mode
parcel1%z=zinit
parcel1%p=pinit
parcel1%t=tinit
parcel1%w=winit
parcel1%rh=rhinit
parcel1%rad=radinit
parcel1%dt=dt
parcel1%ice_flag=ice_flag
parcel1%n_bin_mode=&
parcel1%n_bins1*n_mode*(1+parcel1%ice_flag) ! for all the liquid and ice
parcel1%imoms=ice_flag*5 ! phi, nmon, vol, rim, unf
allocate( parcel1%d(1:parcel1%n_bin_mode1), STAT = AllocateStatus)
if (AllocateStatus /= 0) STOP "*** Not enough memory ***"
! same bin edges used for ice
allocate( parcel1%mbinedges(1:parcel1%n_bins1+1,1:parcel1%n_modes), STAT = AllocateStatus)
if (AllocateStatus /= 0) STOP "*** Not enough memory ***"
allocate( parcel1%maer(1:parcel1%n_bin_modew), STAT = AllocateStatus)
if (AllocateStatus /= 0) STOP "*** Not enough memory ***"
allocate( parcel1%npart(1:parcel1%n_bin_modew), STAT = AllocateStatus)
if (AllocateStatus /= 0) STOP "*** Not enough memory ***"
allocate( parcel1%npartall(1:parcel1%n_bin_mode), STAT = AllocateStatus)
if (AllocateStatus /= 0) STOP "*** Not enough memory ***"
allocate( parcel1%mbin(1:parcel1%n_bin_modew,1:n_comps+1), STAT = AllocateStatus)
if (AllocateStatus /= 0) STOP "*** Not enough memory ***"
allocate( parcel1%mbinall(1:parcel1%n_bin_mode,1:n_comps+1), STAT = AllocateStatus)
if (AllocateStatus /= 0) STOP "*** Not enough memory ***"
allocate( parcel1%rho_core(1:parcel1%n_modes), STAT = AllocateStatus)
if (AllocateStatus /= 0) STOP "*** Not enough memory ***"
allocate( parcel1%momtemp(1:parcel1%n_bin_mode), &
STAT = AllocateStatus)
if (AllocateStatus /= 0) STOP "*** Not enough memory ***"
allocate( parcel1%moments(1:parcel1%n_bin_mode,1:n_comps+parcel1%imoms), &
STAT = AllocateStatus)
if (AllocateStatus /= 0) STOP "*** Not enough memory ***"
allocate( parcel1%momenttype(1:n_comps+parcel1%imoms), STAT = AllocateStatus)
if (AllocateStatus /= 0) STOP "*** Not enough memory ***"
allocate( parcel1%rhobin(1:parcel1%n_bin_modew,1:n_comps), STAT = AllocateStatus)
if (AllocateStatus /= 0) STOP "*** Not enough memory ***"
allocate( parcel1%nubin(1:parcel1%n_bin_modew,1:n_comps), STAT = AllocateStatus)
if (AllocateStatus /= 0) STOP "*** Not enough memory ***"
allocate( parcel1%molwbin(1:parcel1%n_bin_modew,1:n_comps), STAT = AllocateStatus)
if (AllocateStatus /= 0) STOP "*** Not enough memory ***"
allocate( parcel1%kappabin(1:parcel1%n_bin_modew,1:n_comps), STAT = AllocateStatus)
if (AllocateStatus /= 0) STOP "*** Not enough memory ***"
allocate( parcel1%rh_eq(1:parcel1%n_bin_modew), STAT = AllocateStatus)
if (AllocateStatus /= 0) STOP "*** Not enough memory ***"
allocate( parcel1%rhoat(1:parcel1%n_bin_modew), STAT = AllocateStatus)
if (AllocateStatus /= 0) STOP "*** Not enough memory ***"
allocate( parcel1%dw(1:parcel1%n_bin_modew), STAT = AllocateStatus)
if (AllocateStatus /= 0) STOP "*** Not enough memory ***"
allocate( parcel1%da_dt(1:parcel1%n_bin_modew), STAT = AllocateStatus)
if (AllocateStatus /= 0) STOP "*** Not enough memory ***"
allocate( parcel1%ndrop(1:parcel1%n_bin_modew), STAT = AllocateStatus)
if (AllocateStatus /= 0) STOP "*** Not enough memory ***"
allocate( parcel1%ecoal(1:parcel1%n_bin_mode,1:parcel1%n_bin_mode), STAT = AllocateStatus)
if (AllocateStatus /= 0) STOP "*** Not enough memory ***"
allocate( parcel1%ecoll(1:parcel1%n_bin_mode,1:parcel1%n_bin_mode), STAT = AllocateStatus)
if (AllocateStatus /= 0) STOP "*** Not enough memory ***"
allocate( parcel1%indexc(1:parcel1%n_bin_mode,1:parcel1%n_bin_mode), STAT = AllocateStatus)
if (AllocateStatus /= 0) STOP "*** Not enough memory ***"
allocate( parcel1%vel(1:parcel1%n_bin_mode), STAT = AllocateStatus)
if (AllocateStatus /= 0) STOP "*** Not enough memory ***"
allocate( parcel1%q_sound(1:parcel1%n_sound,1:nq), STAT = AllocateStatus)
if (AllocateStatus /= 0) STOP "*** Not enough memory ***"
allocate( parcel1%z_sound(1:parcel1%n_sound), STAT = AllocateStatus)
if (AllocateStatus /= 0) STOP "*** Not enough memory ***"
allocate( parcel1%t_sound(1:parcel1%n_sound), STAT = AllocateStatus)
if (AllocateStatus /= 0) STOP "*** Not enough memory ***"
allocate( parcel1%p_sound(1:parcel1%n_sound), STAT = AllocateStatus)
if (AllocateStatus /= 0) STOP "*** Not enough memory ***"
allocate( parcel1%rh_sound(1:parcel1%n_sound), STAT = AllocateStatus)
if (AllocateStatus /= 0) STOP "*** Not enough memory ***"
allocate( parcel1%theta_q_sound(1:parcel1%n_sound), STAT = AllocateStatus)
if (AllocateStatus /= 0) STOP "*** Not enough memory ***"
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
! calculate the density of aerosol particles within a mode !
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
do i=1,n_mode
var1=sum(mass_frac_aer1(i,:)/ density_core1)
parcel1%rho_core(i) = 1._wp/var1
enddo
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
! set-up size distribution !
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
do k=1,n_mode
idum=k ! this is sent through to zbrent to select the correct mode
! find total number in mode between dmina and dmaxa:
! for this make sure it isnt zero
call lognormal_n_between_limits(max(n_aer1(:,k),1.e-6_wp),d_aer1(:,k),sig_aer1(:,k), &
n_intern,dmina,dmaxa, num)
!print *,num
! set up variables for parcel model
ntot=num
number_per_bin=ntot/real(n_bins,wp)
! make sure it is zero if needed
parcel1%npart(1+(k-1)*n_bins:(k)*n_bins)=min(number_per_bin, &
sum(n_aer1(:,k))/real(n_bins,wp))
parcel1%d(1+(k-1)*(n_bins+1))=dmina
do i=1,n_bins
d_dummy=parcel1%d(i+(k-1)*(n_bins+1))
n_dummy=number_per_bin*(1._wp-1.e-5_wp)
parcel1%d(i+1+(k-1)*(n_bins+1))= zeroin(&
d_dummy*0.9_wp,dmaxa*2._wp,find_upper_diameter, 1.e-30_wp)
enddo
parcel1%d((k)*(n_bins+1))=dmaxa ! nail it to end point - round off
enddo
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
! aerosol mass - total !
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
do k=1,parcel1%n_modes
do j=1,parcel1%n_bins1
i=j+(k-1)*(n_bins+1)
parcel1%maer(j+(k-1)*(n_bins))= &
pi/6._wp*(0.5_wp*(parcel1%d(i+1)+parcel1%d(i)))**3 * &
parcel1%rho_core(k)
enddo
enddo
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
! calculate the mass of each component in a bin, including water (Koehler eq)
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
do i=1,parcel1%n_bins1
do j=1,parcel1%n_modes
do k=1,parcel1%n_comps
parcel1%mbin(i+(j-1)*n_bins,k)= &
parcel1%maer(i+(j-1)*n_bins)*mass_frac_aer1(j,k)
! density in each bin:
parcel1%rhobin(i+(j-1)*n_bins,k)=density_core1(k)
! nu in each bin:
parcel1%nubin(i+(j-1)*n_bins,k)=nu_core1(k)
! molw in each bin:
parcel1%molwbin(i+(j-1)*n_bins,k)=molw_core1(k)
! kappa in each bin:
parcel1%kappabin(i+(j-1)*n_bins,k)=kappa_core1(k)
enddo
enddo
enddo
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
! get initial conditions (based on sounding)
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
! integrate dp/dz=-p/ra/t
! dp/dz=-p/(ra*theta*(p/100000.)**0.287)
parcel1%q_sound=q_read
parcel1%z_sound=z_read
parcel1%t_sound(1)=theta_read(1)*(psurf/1.e5_wp)**(ra/cp)
parcel1%p_sound(1)=psurf
eps2=1.e-5_wp
htry=10._wp
hmin=1.e-2_wp
p1=psurf
! integrate hydrostatic equation
do i=2,n_levels_s
call vode_integrate(p1,z_read(i-1),z_read(i),eps2,htry,hmin,hydrostatic1b)
parcel1%t_sound(i)=theta_read(i)*(p1(1)/1.e5_wp)**(ra/cp)
parcel1%p_sound(i)=p1(1)
enddo
! calculate RH
do i=1,n_levels_s
parcel1%rh_sound(i)=parcel1%q_sound(1,i)/ &
(eps1*svp_liq(parcel1%t_sound(i)) / &
(parcel1%p_sound(i)- svp_liq(parcel1%t_sound(i))) )
enddo
! calculate theta_q
do i=1,n_levels_s
parcel1%theta_q_sound(i)= &
calc_theta_q3(parcel1%t_sound(i),parcel1%p_sound(i),parcel1%q_sound(1,i))
enddo
! interpolate to find parcel conditions
if (use_prof_for_tprh) then
! interpolate to find theta
iloc=find_pos(parcel1%z_sound(1:n_levels_s),parcel1%z)
iloc=min(n_levels_s-1,iloc)
iloc=max(1,iloc)
! linear interp t
call poly_int(parcel1%z_sound(iloc:iloc+1), parcel1%t_sound(iloc:iloc+1), &
min(parcel1%z,parcel1%z_sound(n_levels_s)), var,dummy)
parcel1%t=var +tpert
! linear interp rh
call poly_int(parcel1%z_sound(iloc:iloc+1), parcel1%p_sound(iloc:iloc+1), &
min(parcel1%z,parcel1%z_sound(n_levels_s)), var,dummy)
parcel1%p=var
! linear interp rh
call poly_int(parcel1%z_sound(iloc:iloc+1), parcel1%rh_sound(iloc:iloc+1), &
min(parcel1%z,parcel1%z_sound(n_levels_s)), var,dummy)
parcel1%rh=var
parcel1%rh=rhinit
!parcel1%t=parcel1%t+tpert
print *,'t,p,rh from sounding: ', parcel1%t, parcel1%p, parcel1%rh
endif
parcel1%zlast=parcel1%z
parcel1%qinit=parcel1%rh*eps1*svp_liq(parcel1%t)/(parcel1%p-svp_liq(parcel1%t))
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
! get cloud-base conditions (for entrainment process) !
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
if (vert_ent) then
! find cloud-base pressure:
! cloud base qv
parcel1%q_cbase=parcel1%qinit
! calculate the dry adiabat:
theta_init=parcel1%t*(1.e5_wp/parcel1%p)**(ra/cp)
! calculate p required so that qs(t,p) = q init
parcel1%p_cbase=zeroin(parcel1%p, 100._wp,cloud_base, 1.e-30_wp)
rm=ra+parcel1%qinit*rv
cpm=cp+parcel1%qinit*cpv
parcel1%t_cbase=theta_init*(parcel1%p_cbase/1.e5_wp)**(rm/cpm)
parcel1%theta_q_cbase= &
calc_theta_q3(parcel1%t_cbase,parcel1%p_cbase,parcel1%q_cbase)
print *,'Cloud-base t, p: ',parcel1%t_cbase,parcel1%p_cbase
! now, find the height of cloud-base along dry adiabat:
theta_surf=tsurf*(1.e5_wp/psurf)**(ra/cp)
p11=parcel1%p
z11(1)=parcel1%z
p22=parcel1%p_cbase
htry=p22-p11
eps2=1.e-5_wp
call vode_integrate(z11,p11,p22,eps2,htry,hmin,hydrostatic1)
parcel1%z_cbase=z11(1)
! cloud-top properties from sounding:
parcel1%z_ctop=z_ctop
! interpolate to find t
iloc=find_pos(parcel1%z_sound(1:n_levels_s),parcel1%z_ctop)
iloc=min(n_levels_s-1,iloc)
iloc=max(1,iloc)
! linear interp t
call poly_int(parcel1%z_sound(iloc:iloc+1), parcel1%t_sound(iloc:iloc+1), &
min(parcel1%z_ctop,parcel1%z_sound(n_levels_s)), var,dummy)
parcel1%t_ctop=var
! linear interp p
call poly_int(parcel1%z_sound(iloc:iloc+1), parcel1%p_sound(iloc:iloc+1), &
min(parcel1%z_ctop,parcel1%z_sound(n_levels_s)), var,dummy)
parcel1%p_ctop=var
! linear interp q
call poly_int(parcel1%z_sound(iloc:iloc+1), parcel1%rh_sound(iloc:iloc+1), &
min(parcel1%z_ctop,parcel1%z_sound(n_levels_s)), var,dummy)
parcel1%q_ctop=var*eps1*svp_liq(parcel1%t_ctop) / &
(parcel1%p_ctop-svp_liq(parcel1%t_ctop))
parcel1%theta_q_ctop= &
calc_theta_q3(parcel1%t_ctop,parcel1%p_ctop,parcel1%q_ctop)
print *,'Cloud-top t, p: ',parcel1%t_ctop,parcel1%p_ctop
endif
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
! put water on bin, using koehler equation !
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
select case(kappa_flag)
case(0)
do i=1,parcel1%n_bin_modew
n_sel=i
rh_act=0._wp !min(parcel1%rh,0.999_wp)
mult=-1._wp
! has to be less than the peak moles of water at activation
test=fmin(1.e-50_wp,1.e1_wp, koehler02,1.e-30_wp)
rh_act=min(parcel1%rh,0.999_wp)
mult=1._wp
d_dummy=zeroin(1.e-30_wp, test, koehler02,1.e-30_wp)*molw_water
parcel1%mbin(i,n_comps+1)= d_dummy
enddo
! call koehler01(parcel1%t,parcel1%mbin(:,n_comps+1),&
! parcel1%mbin,parcel1%rhobin,&
! parcel1%nubin,parcel1%molwbin,parcel1%n_bin_modew,&
! parcel1%rh_eq,parcel1%rhoat,parcel1%dw)
! print *,parcel1%rh_eq
case(1)
do i=1,parcel1%n_bin_modew
n_sel=i
rh_act=0._wp !min(parcel1%rh,0.999_wp)
mult=-1._wp
! has to be less than the peak moles of water at activation
test=fmin(1.e-50_wp,1.e1_wp, kkoehler02,1.e-30_wp)
rh_act=min(parcel1%rh,0.999_wp)
mult=1._wp
d_dummy=zeroin(1.e-30_wp, test, kkoehler02,1.e-30_wp)*molw_water
parcel1%mbin(i,n_comps+1)= d_dummy
enddo
! call kkoehler01(parcel1%t,parcel1%mbin(:,n_comps+1),&
! parcel1%mbin,parcel1%rhobin,&
! parcel1%kappabin,parcel1%molwbin,parcel1%n_bin_modew,&
! parcel1%rh_eq,parcel1%rhoat,parcel1%dw)
! print *,parcel1%rh_eq
case default
print *,'error kappa flag'
stop
end select
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
! set-up ODE variables !
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
if(adiabatic_prof) then
parcel1%neq=parcel1%n_bin_modew+5 ! p,t,rh,z,w
else
parcel1%neq=parcel1%n_bin_modew+6 ! p,t,rh,z,w,ra
if (entrain_period == 0) then
l_inhom =.false.
else
l_inhom = .true.
endif
endif
parcel1%tt=0._wp
parcel1%tout=parcel1%tt+parcel1%dt
parcel1%itol=2
parcel1%rtol=1.e-4_wp
allocate( parcel1%y(parcel1%neq), stat = allocatestatus)
if (allocatestatus /= 0) stop "*** not enough memory ***"
allocate( parcel1%yold(parcel1%neq), stat = allocatestatus)
if (allocatestatus /= 0) stop "*** not enough memory ***"
allocate( parcel1%atol(parcel1%neq), stat = allocatestatus)
if (allocatestatus /= 0) stop "*** not enough memory ***"
parcel1%atol(1:parcel1%n_bin_modew)=1.e-25_wp
parcel1%ipr=parcel1%n_bin_modew+1 ! pressure
parcel1%ite=parcel1%n_bin_modew+2 ! temperarture
parcel1%irh=parcel1%n_bin_modew+3 ! rh
parcel1%iz =parcel1%n_bin_modew+4 ! altitude
parcel1%iw =parcel1%n_bin_modew+5 ! vertical wind
! extra variables for entrainment
if(.not.adiabatic_prof) then
parcel1%ira =parcel1%n_bin_modew+6 ! radius of bubble or jet
parcel1%atol(parcel1%ira) =2.e-2_wp
if(parcel1%ira .ne. parcel1%neq) stop "*** problem with array lengths ***"
else
if(parcel1%iw .ne. parcel1%neq) stop "*** problem with array lengths ***"
endif
parcel1%atol(parcel1%ipr)=10._wp
parcel1%atol(parcel1%ite)=1.e-4_wp
parcel1%atol(parcel1%irh)=1.e-8_wp
parcel1%atol(parcel1%iz) =2.e-2_wp
parcel1%atol(parcel1%iw) =2.e-2_wp
parcel1%itask=1
parcel1%istate=1
parcel1%iopt=1
parcel1%mf=22
parcel1%lrw=22+9*parcel1%neq+2*parcel1%neq**2
allocate( parcel1%rwork(parcel1%lrw), stat = allocatestatus)
if (allocatestatus /= 0) stop "*** not enough memory ***"
parcel1%liw=30+parcel1%neq
allocate( parcel1%iwork(parcel1%liw), stat = allocatestatus)
if (allocatestatus /= 0) stop "*** not enough memory ***"
! extra input variables:
parcel1%iwork=0
parcel1%rwork=0._wp
parcel1%iwork(6) = 100 ! max steps
parcel1%iwork(7) = 10 ! max message printed per problem
parcel1%iwork(5) = 5 ! order
parcel1%rwork(5) = 0._wp !1.e-3_wp ! initial time-step
parcel1%rwork(6) = dt ! max time-step
parcel1%rwork(7) = 0._wp !1.e-9_wp ! min time-step allowed
parcel1%rwork(14) = 2._wp ! tolerance scale factor
! put water in solution vector and set p, t, rh, z, w
parcel1%y(1:parcel1%n_bin_modew)=parcel1%mbin(:,n_comps+1)
parcel1%y(parcel1%ipr)=parcel1%p
parcel1%y(parcel1%ite)=parcel1%t
parcel1%y(parcel1%irh)=parcel1%rh
parcel1%y(parcel1%iz) =parcel1%z
parcel1%y(parcel1%iw) =parcel1%w
if(.not.adiabatic_prof) then
parcel1%y(parcel1%ira) =parcel1%rad
! note, this allocates some space for the aerosol to be entrained into the parcel
allocate( parcel1%mbinedges_ent(1:parcel1%n_bins1+1,1:parcel1%n_modes), &
STAT = AllocateStatus)
if (AllocateStatus /= 0) STOP "*** Not enough memory ***"
allocate( parcel1%npart_ent(1:parcel1%n_bin_modew), STAT = AllocateStatus)
if (AllocateStatus /= 0) STOP "*** Not enough memory ***"
allocate( parcel1%mbin_ent(1:parcel1%n_bin_modew,1:n_comps+1), &
STAT = AllocateStatus)
if (AllocateStatus /= 0) STOP "*** Not enough memory ***"
allocate( parcel1%moments_ent(1:parcel1%n_bin_mode,1:n_comps+parcel1%imoms), &
STAT = AllocateStatus)
if (AllocateStatus /= 0) STOP "*** Not enough memory ***"
! note, this allocates some space for the aerosol from evaporated drops
allocate( parcel1%mbinedges_temp(1:parcel1%n_bins1+1,1:parcel1%n_modes), &
STAT = AllocateStatus)
if (AllocateStatus /= 0) STOP "*** Not enough memory ***"
allocate( parcel1%npart_temp(1:parcel1%n_bin_modew), STAT = AllocateStatus)
if (AllocateStatus /= 0) STOP "*** Not enough memory ***"
allocate( parcel1%mbin_temp(1:parcel1%n_bin_modew,1:n_comps+1), &
STAT = AllocateStatus)
if (AllocateStatus /= 0) STOP "*** Not enough memory ***"
allocate( parcel1%moments_temp(1:parcel1%n_bin_mode,1:n_comps+parcel1%imoms), &
STAT = AllocateStatus)
if (AllocateStatus /= 0) STOP "*** Not enough memory ***"
if(ice_flag == 1) then
! note, this allocates some space for the aerosol from evaporated ice
allocate( parcel1%mbinedges_temp2(1:parcel1%n_bins1+1,1:parcel1%n_modes), &
STAT = AllocateStatus)
if (AllocateStatus /= 0) STOP "*** Not enough memory ***"
allocate( parcel1%npart_temp2(1:parcel1%n_bin_modew), STAT = AllocateStatus)
if (AllocateStatus /= 0) STOP "*** Not enough memory ***"
allocate( parcel1%mbin_temp2(1:parcel1%n_bin_modew,1:n_comps+1), &
STAT = AllocateStatus)
if (AllocateStatus /= 0) STOP "*** Not enough memory ***"
! don't need moments_temp2 as that is already allocated in moments_temp
endif
endif
! do not print messages
call xsetf(0)
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
if(ice_flag .eq. 1) then
! allocation:
allocate( parcel1%dice(1:parcel1%n_bin_mode1), STAT = AllocateStatus)
if (AllocateStatus /= 0) STOP "*** Not enough memory ***"
allocate( parcel1%maerice(1:parcel1%n_bin_modew), STAT = AllocateStatus)
if (AllocateStatus /= 0) STOP "*** Not enough memory ***"
allocate( parcel1%npartice(1:parcel1%n_bin_modew), STAT = AllocateStatus)
if (AllocateStatus /= 0) STOP "*** Not enough memory ***"
allocate( parcel1%mbinice(1:parcel1%n_bin_modew,1:n_comps+1), STAT = AllocateStatus)
if (AllocateStatus /= 0) STOP "*** Not enough memory ***"
allocate( parcel1%rho_coreice(1:parcel1%n_modes), STAT = AllocateStatus)
if (AllocateStatus /= 0) STOP "*** Not enough memory ***"
allocate( parcel1%rhobinice(1:parcel1%n_bin_modew,1:n_comps), STAT = AllocateStatus)
if (AllocateStatus /= 0) STOP "*** Not enough memory ***"
allocate( parcel1%nubinice(1:parcel1%n_bin_modew,1:n_comps), STAT = AllocateStatus)
if (AllocateStatus /= 0) STOP "*** Not enough memory ***"
allocate( parcel1%molwbinice(1:parcel1%n_bin_modew,1:n_comps), STAT = AllocateStatus)
if (AllocateStatus /= 0) STOP "*** Not enough memory ***"
allocate( parcel1%kappabinice(1:parcel1%n_bin_modew,1:n_comps), STAT = AllocateStatus)
if (AllocateStatus /= 0) STOP "*** Not enough memory ***"
allocate( parcel1%rh_eqice(1:parcel1%n_bin_modew), STAT = AllocateStatus)
if (AllocateStatus /= 0) STOP "*** Not enough memory ***"
allocate( parcel1%rhoatice(1:parcel1%n_bin_modew), STAT = AllocateStatus)
if (AllocateStatus /= 0) STOP "*** Not enough memory ***"
allocate( parcel1%dwice(1:parcel1%n_bin_modew), STAT = AllocateStatus)
if (AllocateStatus /= 0) STOP "*** Not enough memory ***"
allocate( parcel1%da_dtice(1:parcel1%n_bin_modew), STAT = AllocateStatus)
if (AllocateStatus /= 0) STOP "*** Not enough memory ***"
allocate( parcel1%nice(1:parcel1%n_bin_modew), STAT = AllocateStatus)
if (AllocateStatus /= 0) STOP "*** Not enough memory ***"
allocate( parcel1%phi(1:parcel1%n_bin_modew), STAT = AllocateStatus)
if (AllocateStatus /= 0) STOP "*** Not enough memory ***"
allocate( parcel1%rhoi(1:parcel1%n_bin_modew), STAT = AllocateStatus)
if (AllocateStatus /= 0) STOP "*** Not enough memory ***"
allocate( parcel1%nump(1:parcel1%n_bin_modew), STAT = AllocateStatus)
if (AllocateStatus /= 0) STOP "*** Not enough memory ***"
allocate( parcel1%rime(1:parcel1%n_bin_modew), STAT = AllocateStatus)
if (AllocateStatus /= 0) STOP "*** Not enough memory ***"
parcel1%phi=1._wp
parcel1%rhoi=rhoice
parcel1%nump=1._wp
parcel1%rime=0._wp
parcel1%rho_coreice(:) = parcel1%rho_core(:)
parcel1%npartice=0._wp
parcel1%dice=parcel1%d
parcel1%maerice=parcel1%maer
parcel1%mbinice=parcel1%mbin
parcel1%rhobinice=parcel1%rhobin
parcel1%nubinice=parcel1%nubin
parcel1%molwbinice=parcel1%molwbin
parcel1%kappabinice=parcel1%kappabin
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
! set-up ODE variables !
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
parcel1%neqice=parcel1%n_bin_modew+4 ! p,t,rh,w
parcel1%ttice=0._wp
parcel1%toutice=parcel1%tout
parcel1%itolice=2
parcel1%rtolice=1.e-3_wp
allocate( parcel1%yice(parcel1%neqice), stat = allocatestatus)
if (allocatestatus /= 0) stop "*** not enough memory ***"
allocate( parcel1%yoldice(parcel1%neqice), stat = allocatestatus)
if (allocatestatus /= 0) stop "*** not enough memory ***"
allocate( parcel1%atolice(parcel1%neqice), stat = allocatestatus)
if (allocatestatus /= 0) stop "*** not enough memory ***"
parcel1%atolice(1:parcel1%n_bin_modew)=1.e-25_wp
parcel1%ipri=parcel1%n_bin_modew+1 ! pressure
parcel1%itei=parcel1%n_bin_modew+2 ! temperature
parcel1%irhi=parcel1%n_bin_modew+3 ! rh
parcel1%iwi =parcel1%n_bin_modew+4 ! vertical wind
parcel1%atolice(parcel1%ipri)=10._wp
parcel1%atolice(parcel1%itei)=1.e-4_wp
parcel1%atolice(parcel1%irhi)=1.e-8_wp
parcel1%atolice(parcel1%iwi) =2.e-2_wp
if(parcel1%iwi .ne. parcel1%neqice) stop "*** problem with array lengths ***"
parcel1%itaskice=1
parcel1%istateice=1
parcel1%ioptice=1
parcel1%mfice=22
parcel1%lrwice=22+9*parcel1%neqice+2*parcel1%neqice**2
allocate( parcel1%rworkice(parcel1%lrwice), stat = allocatestatus)
if (allocatestatus /= 0) stop "*** not enough memory ***"
parcel1%liwice=30+parcel1%neqice
allocate( parcel1%iworkice(parcel1%liwice), stat = allocatestatus)
if (allocatestatus /= 0) stop "*** not enough memory ***"
! extra input variables:
parcel1%iworkice=0
parcel1%rworkice=0._wp
parcel1%iworkice(6) = 100 ! max steps
parcel1%iworkice(7) = 10 ! max message printed per problem
parcel1%iworkice(5) = 5 ! order
parcel1%rworkice(5) = 0._wp !1.e-3_wp ! initial time-step
parcel1%rworkice(6) = dt ! max time-step
parcel1%rworkice(7) = 0._wp !1.e-9_wp ! min time-step allowed
parcel1%rworkice(14) = 2._wp ! tolerance scale factor
! put water in solution vector and set p, t, rh, z, w
parcel1%yice(1:parcel1%n_bin_modew)=parcel1%mbinice(:,n_comps+1)
parcel1%yice(parcel1%ipri)=parcel1%p
parcel1%yice(parcel1%itei)=parcel1%t
parcel1%yice(parcel1%irhi)=parcel1%rh
parcel1%yice(parcel1%iwi) =parcel1%w
endif
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
! Initialise conserved moments !
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
parcel1%moments=0._wp
do j=1,parcel1%n_comps
! above the aerosol
do i=1,parcel1%n_bin_modew
! aerosol moments
parcel1%moments(i,j)=parcel1%npart(i)*parcel1%mbin(i,j)
enddo
enddo
parcel1%momenttype(1:parcel1%n_comps)=1 ! 1 is mass, 2 is number
! ** ice **
! same for the ice
! additional moments - 2 general ones and 3 just for ice maybe just do 5
if (parcel1%ice_flag.eq.1) then
do j=1,parcel1%n_comps
! above the aerosol
do i=1,parcel1%n_bin_modew