iso_ionize_recombine.cpp

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/* This file is part of Cloudy and is copyright (C)1978-2022 by Gary J. Ferland and
 * others.  For conditions of distribution and use see copyright notice in license.txt */
/*iso_ionize_recombine find state specific creation and destruction rates for iso sequences */
/*ChargeTransferUpdate update rate of ct ionization and recombination for H atoms */
#include "cddefines.h"
#include "ionbal.h"
#include "conv.h"
#include "atmdat.h"
#include "secondaries.h"
#include "iso.h"
#include "phycon.h"
#include "rfield.h"
#include "trace.h"
#include "freebound.h"
#include "dense.h"
/*lint -e778 constant expression evaluates to zero - in HMRATE macro */
/*iso_charge_transfer_update update rate of ct ionization and recombination for H atoms */
void iso_charge_transfer_update(long nelem1)
{
        DEBUG_ENTRY( "iso_charge_transfer_update()" );

        if( nelem1 >= t_atmdat::NCX )
                return;

        atmdat.CharExcIonTotal[nelem1] = 0.;
        atmdat.CharExcRecTotal[nelem1] = 0.;

        // find total charge transfer rate coefficients
        // charge transfer reactions of lighter species
        for ( long nelem=ipHYDROGEN; nelem < nelem1; ++nelem)
        {
                atmdat.CharExcIonTotal[nelem1] += atmdat.CharExcIonOf[nelem][nelem1][0]*dense.xIonDense[nelem][1];
                long ipISO=nelem;
                atmdat.CharExcRecTotal[nelem1] += atmdat.CharExcRecTo[nelem][nelem1][0]*iso_sp[ipISO][nelem].st[0].Pop();
        }

        // and of heavier species
        for( long nelem=nelem1+1; nelem<LIMELM; ++nelem)
        {
                for( long ion=0; ion<=nelem; ++ion )
                {
                        // charge transfer ionization of nelem1, recombination for other species, cm-3 s-1
                        atmdat.CharExcIonTotal[nelem1] += atmdat.CharExcRecTo[nelem1][nelem][ion]*dense.xIonDense[nelem][ion+1]; 
                        // charge transfer recombination of nelem1, ionization for other species, cm-3 s-1
                        atmdat.CharExcRecTotal[nelem1] += atmdat.CharExcIonOf[nelem1][nelem][ion]*dense.xIonDense[nelem][ion];
                }
        }

        return;
}

/*iso_ionize_recombine find state specific creation and destruction rates for iso sequences */
void iso_ionize_recombine(
        /* iso sequence, hydrogen or helium for now */
        long ipISO , 
        /* the chemical element, 0 for hydrogen */
        long int nelem )
{
        long int level;
        double Recom3Body;

        DEBUG_ENTRY( "iso_ionize_recombine()" );

        ASSERT( ipISO >= 0 && ipISO < NISO );
        ASSERT( nelem >= 0 && nelem < LIMELM );

        /* find recombination and ionization elements, will use to get simple estimate
         * of ionization ratio below */
        /* >>chng 06 jul 20, level should go to numLevels_local instead of numLevels_max */

        fixit("must apply error to iso.gamnc");

        for( level=ipH1s; level< iso_sp[ipISO][nelem].numLevels_local; ++level)
        {
                // This term is intended to capture LTE in DR-dominated plasmas.
                // It is scaled by Occ num / Occ num at STE to ensure correct limits w.r.t. ambient radiation. 
                double DR_reverse = 0.;
                if( ipISO > ipH_LIKE && iso_sp[ipISO][nelem].fb[level].PopLTE > SMALLFLOAT )
                { 
                        long indexIP = iso_sp[ipISO][nelem].fb[level].ipIsoLevNIonCon-1;
                        double OccNum = rfield.OccNumbIncidCont[indexIP] + rfield.OccNumbContEmitOut[indexIP];
                        double OccNumBB = 1./(exp( iso_sp[ipISO][nelem].fb[level].xIsoLevNIonRyd / phycon.te_ryd ) - 1. );
                        double RelOccNum = MIN2( 1., OccNum / OccNumBB );
                        //fprintf( ioQQQ, "DEBUGGG DR_reverse %li\t%li\t%e\t%e\t%e\t%e\t%e\t%e\n", level, indexIP, RelOccNum, OccNum, OccNumBB, 
                        //      rfield.anu(indexIP), iso_sp[ipISO][nelem].fb[level].xIsoLevNIonRyd, rfield.anu(indexIP+1) );
                        DR_reverse = iso_sp[ipISO][nelem].fb[level].DielecRecomb * RelOccNum /  
                                iso_sp[ipISO][nelem].fb[level].PopLTE; 
                }
        
                /* all process moving level to continuum, units s-1 */
                iso_sp[ipISO][nelem].fb[level].RateLevel2Cont = iso_sp[ipISO][nelem].fb[level].gamnc + 
                        iso_sp[ipISO][nelem].fb[level].ColIoniz* dense.EdenHCorr + 
                        DR_reverse +
                        secondaries.csupra[nelem][nelem-ipISO]*iso_ctrl.lgColl_ionize[ipISO];

                /* all processes from continuum to level n, units s-1 */
                iso_sp[ipISO][nelem].fb[level].RateCont2Level = (
                        /* radiative recombination */
                        iso_sp[ipISO][nelem].fb[level].RadRecomb[ipRecRad]*
                        iso_sp[ipISO][nelem].fb[level].RadRecomb[ipRecNetEsc] + 

                        /* dielectronic recombination */
                        iso_sp[ipISO][nelem].fb[level].DielecRecomb +

                        /* induced recombination */
                        iso_sp[ipISO][nelem].fb[level].RecomInducRate*iso_sp[ipISO][nelem].fb[level].PopLTE + 

                        /* collisional or three body recombination */
                        /* PopLTE(level,nelem) is only LTE pop when mult by n_e n_H */
                        iso_sp[ipISO][nelem].fb[level].ColIoniz*dense.EdenHCorr*iso_sp[ipISO][nelem].fb[level].PopLTE
                        ) * dense.eden;
        
                ASSERT( iso_sp[ipISO][nelem].fb[level].RadRecomb[ipRecRad] >= 0. );
                ASSERT( iso_sp[ipISO][nelem].fb[level].RadRecomb[ipRecNetEsc] >= 0. );
                ASSERT( iso_sp[ipISO][nelem].fb[level].DielecRecomb >= 0. );
                ASSERT( iso_sp[ipISO][nelem].fb[level].RecomInducRate >= 0. );
                ASSERT( iso_sp[ipISO][nelem].fb[level].PopLTE >= 0. );
                ASSERT( iso_sp[ipISO][nelem].fb[level].ColIoniz >= 0. );
                ASSERT( iso_sp[ipISO][nelem].fb[level].RateCont2Level >= 0. );

                if( iso_ctrl.lgRandErrGen[ipISO] )
                {
                        iso_sp[ipISO][nelem].fb[level].RateCont2Level *=
                                iso_sp[ipISO][nelem].ex[ iso_sp[ipISO][nelem].numLevels_max ][level].ErrorFactor[IPRAD];
                }
        }

        /* now create sums of recombination and ionization rates for ISO species */
        ionbal.RateRecomIso[nelem][ipISO] = 0.;
        ionbal.RR_rate_coef_used[nelem][nelem-ipISO] = 0.;
        Recom3Body = 0.;
        /* >>chng 06 jul 20, level should go to numLevels_local instead of numLevels_max */
        for( level=0; level< iso_sp[ipISO][nelem].numLevels_local; ++level)
        {

                /* units of ionbal.RateRecomTot are s-1,
                 * equivalent ionization term is done after level populations are known */
                ionbal.RateRecomIso[nelem][ipISO] += iso_sp[ipISO][nelem].fb[level].RateCont2Level;

                /* just the radiative recombination rate coef, cm3 s-1 */
                ionbal.RR_rate_coef_used[nelem][nelem-ipISO] += iso_sp[ipISO][nelem].fb[level].RadRecomb[ipRecRad]*
                        iso_sp[ipISO][nelem].fb[level].RadRecomb[ipRecNetEsc];

                /* >>chng 05 jul 11, from > to >=, some very opt thick sims did block escape to zero */
                ASSERT( ionbal.RR_rate_coef_used[nelem][nelem-ipISO]>= 0. );

                /* this is three-body recombination rate coef by itself - 
                 * need factor of eden to become rate */
                Recom3Body += iso_sp[ipISO][nelem].fb[level].ColIoniz*dense.EdenHCorr*iso_sp[ipISO][nelem].fb[level].PopLTE;
        }

        /* fraction of total recombinations due to three body - when most are due to this
         * small changes in temperature can produce large changes in recombination coefficient,
         * and so in ionization */
        iso_sp[ipISO][nelem].RecomCollisFrac = Recom3Body* dense.eden / ionbal.RateRecomIso[nelem][ipISO];

        /* very first pass through here rate RateIoniz not yet evaluated */
        if( conv.nTotalIoniz==0 )
                ionbal.RateIoniz[nelem][nelem-ipISO][nelem-ipISO+1] = iso_sp[ipISO][nelem].fb[0].RateLevel2Cont;

        /* get simple estimate of atom to ion ratio */
        if( ionbal.RateRecomIso[nelem][ipISO] > 0. )
        {
                iso_sp[ipISO][nelem].xIonSimple = ionbal.RateIonizTot(nelem,nelem-ipISO)/ionbal.RateRecomIso[nelem][ipISO];
        }
        else
        {
                iso_sp[ipISO][nelem].xIonSimple = 0.;
        }

        if( trace.lgTrace  && (trace.lgHBug||trace.lgHeBug) )
        {
                fprintf( ioQQQ, "     iso_ionize_recombine iso=%2ld Z=%2ld Level2Cont[0] %10.2e RateRecomTot %10.2e xIonSimple %10.2e\n", 
                        ipISO, nelem, iso_sp[ipISO][nelem].fb[0].RateLevel2Cont, ionbal.RateRecomIso[nelem][ipISO], iso_sp[ipISO][nelem].xIonSimple );
        }

        return;
}
/*lint +e778 constant expression evaluates to zero - in HMRATE macro */