2 |
C $Name$ |
C $Name$ |
3 |
|
|
4 |
#include "DIC_OPTIONS.h" |
#include "DIC_OPTIONS.h" |
|
#include "GCHEM_OPTIONS.h" |
|
5 |
|
|
6 |
CStartOfInterFace |
CStartOfInterFace |
7 |
SUBROUTINE Fe_CHEM( |
SUBROUTINE Fe_CHEM( |
21 |
#include "EEPARAMS.h" |
#include "EEPARAMS.h" |
22 |
#include "PARAMS.h" |
#include "PARAMS.h" |
23 |
#include "GRID.h" |
#include "GRID.h" |
24 |
#include "DIC_BIOTIC.h" |
#include "DIC_VARS.h" |
|
#include "PTRACERS_SIZE.h" |
|
|
#include "PTRACERS.h" |
|
25 |
|
|
26 |
C == Routine arguments == |
C == Routine arguments == |
27 |
C bi, bj, iMin, iMax, jMin, jMax - Range of points for which calculation |
C bi, bj, iMin, iMax, jMin, jMax - Range of points for which calculation |
31 |
_RL fe(1-OLx:sNx+OLx,1-OLy:sNy+OLy,Nr,nSx,nSy) |
_RL fe(1-OLx:sNx+OLx,1-OLy:sNy+OLy,Nr,nSx,nSy) |
32 |
INTEGER bi,bj,iMin,iMax,jMin,jMax |
INTEGER bi,bj,iMin,iMax,jMin,jMax |
33 |
INTEGER myIter,myThid |
INTEGER myIter,myThid |
34 |
|
#ifdef AD_SAFE |
35 |
|
_RL thx, thy, theps |
36 |
|
#endif |
37 |
CEndOfInterface |
CEndOfInterface |
38 |
|
|
39 |
#ifdef ALLOW_FE |
#ifdef ALLOW_FE |
40 |
|
|
41 |
INTEGER I,J,K |
INTEGER I,J,K |
42 |
_RL lig, FeL |
_RL lig, FeL |
43 |
|
_RL tmpfe |
44 |
|
|
45 |
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCc |
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCc |
46 |
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCc |
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCc |
56 |
C ligand balance in surface layer |
C ligand balance in surface layer |
57 |
C in surface layer |
C in surface layer |
58 |
|
|
59 |
DO j=jMin,jMax |
DO j=jmin,jmax |
60 |
DO i=iMin,iMax |
DO i=imin,imax |
61 |
DO k=1,nR |
DO k=1,Nr |
62 |
IF(hFacC(i,j,k,bi,bj) .gt. 0.0)THEN |
IF (hFacC(i,j,k,bi,bj) .GT. 0. _d 0) THEN |
63 |
|
|
64 |
C Ligand,FeL,Fe calculation |
#ifdef DIC_NO_NEG |
65 |
|
tmpfe=max(0. _d0 , fe (i,j,k,bi,bj)) |
66 |
|
#else |
67 |
|
tmpfe=fe (i,j,k,bi,bj) |
68 |
|
#endif |
69 |
|
|
70 |
lig=(-ligand_stab*fe (i,j,k,bi,bj)+ |
C Ligand,FeL,Fe calculation |
71 |
& ligand_stab*ligand_tot-1 |
lig=(-ligand_stab*tmpfe + |
72 |
& +((ligand_stab*fe (i,j,k,bi,bj) |
& ligand_stab*ligand_tot-1. _d 0 |
73 |
& -ligand_stab*ligand_tot+1)**2+4 |
& +((ligand_stab*tmpfe |
74 |
& *ligand_stab*ligand_tot)**0.5)/(2*ligand_stab) |
& -ligand_stab*ligand_tot+1. _d 0)**2 |
75 |
|
& +4. _d 0*ligand_stab*ligand_tot)**0.5 _d 0 |
76 |
|
& )/(2. _d 0*ligand_stab) |
77 |
|
|
78 |
FeL = ligand_tot-lig |
FeL = ligand_tot-lig |
79 |
freefe(i,j,k,bi,bj) = fe (i,j,k,bi,bj)-FeL |
if (tmpfe.eq.0. _d 0) then |
80 |
|
freefe(i,j,k,bi,bj) = tmpfe -FeL |
81 |
|
else |
82 |
|
freefe(i,j,k,bi,bj) = 0. _d 0 |
83 |
|
endif |
84 |
|
#ifdef MINFE |
85 |
|
#ifdef AD_SAFE |
86 |
|
thx=freefe(i,j,k,bi,bj) |
87 |
|
thy=freefemax |
88 |
|
theps=1. _d -8 |
89 |
|
freefe(i,j,k,bi,bj) = |
90 |
|
& ( 1. _d 0 - tanh((thx-thy)/theps) ) * thx/2.+ |
91 |
|
& ( 1. _d 0 + tanh((thx-thy)/theps) ) * thy/2. |
92 |
|
|
93 |
|
#else |
94 |
|
freefe(i,j,k,bi,bj) = min(freefe(i,j,k,bi,bj),freefemax) |
95 |
|
#endif |
96 |
|
fe(i,j,k,bi,bj) = FeL+freefe(i,j,k,bi,bj) |
97 |
|
#endif |
98 |
END IF |
END IF |
99 |
ENDDO |
ENDDO |
100 |
ENDDO |
ENDDO |
102 |
c |
c |
103 |
#endif |
#endif |
104 |
RETURN |
RETURN |
105 |
END |
END |