[247] | 1 | |
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| 2 | CCC $Header$ |
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| 3 | CCC TOP 1.0 , LOCEAN-IPSL (2005) |
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| 4 | C This software is governed by CeCILL licence see modipsl/doc/NEMO_CeCILL.txt |
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| 5 | C --------------------------------------------------------------------------- |
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[186] | 6 | CDIR$ LIST |
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| 7 | SUBROUTINE h3cche |
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| 8 | #if defined key_passivetrc && defined key_trc_hamocc3 |
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| 9 | CCC--------------------------------------------------------------------- |
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| 10 | CCC |
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| 11 | CCC ROUTINE h3cche |
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| 12 | CCC ****************** |
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| 13 | CCC |
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| 14 | CCC PURPOSE. |
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| 15 | CCC -------- |
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| 16 | CCC *H3CCHE* SETS CHEMICAL CONSTANTS |
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| 17 | CCC |
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| 18 | CCC |
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| 19 | CC INTERFACE. |
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| 20 | CC ---------- |
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| 21 | CC *CALL* *H3CCHE* |
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| 22 | CC |
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| 23 | CC METHOD. |
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| 24 | CC ------- |
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| 25 | CC 1) SET CONSTANTS FOR CARBONATE CHEMISTRY AS DESCRIBED IN |
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| 26 | CC IN BROECKER ET AL. (1982, GEOSECS) AND EDMOND A. GIESKES |
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| 27 | CC (1970) |
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| 28 | CC 2) INITIATE [CO3--] AND PH-VALUE BY ITERATION |
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| 29 | CC (NEWTON-RAPHSON METHOD FOR SOLVING NONLINEAR SIMULTANEOUS |
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| 30 | CC EQUATIONS, SEE E.G. SCARBOROUGH, J. (1958)) |
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| 31 | CC |
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| 32 | CC |
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| 33 | CC EXTERNALS. |
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| 34 | CC ---------- |
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| 35 | CC *RHO* - HALF PRECISION FUNCTION, EQ. OF STATE OF |
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| 36 | CC SEAWATER |
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| 37 | CC |
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| 38 | CC REFERENCE. |
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| 39 | CC ---------- |
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| 40 | CC |
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| 41 | CC BERNER, R. A. (1976) |
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| 42 | CC THE SOLUBILITY OF CALCITE AND ARAGONITE IN SEA WATER |
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| 43 | CC AT ATMOSPHERIC PRESSURE AND 34.5 O/OO SALINITY. |
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| 44 | CC AMERICAN JOURNAL OF SCIENCE, VOL. 276, 713-730. |
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| 45 | CC (K'SP(ARAGONITE)=1.45 K'SP(CALCITE)) |
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| 46 | CC |
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| 47 | CC BROECKER, W.S., D.W. SPENCER, AND H. CRAIG (1982) |
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| 48 | CC GEOSECS PACIFIC EXPEDITION. VOL. 3.. HYDROGRAPHIC DATA |
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| 49 | CC 1973-1974, SUPERINTENDANT OF DOCUMENTS, U.S. GOVERNMENT |
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| 50 | CC PRINTING OFFICE, WASHINGTON, D.C., 137 PP.. |
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| 51 | CC |
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| 52 | CC CULBERSON, C.H., AND R.M. PYTKOWICZ (1968) |
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| 53 | CC EFFECT ON PRESSURE ON CARBONIC ACID, BORIC ACID AND THE PH |
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| 54 | CC IN SEA WATER. |
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| 55 | CC LIMNOLOGY AND OCEANOGRAPHY, VOL. 13, 403-417. |
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| 56 | CC |
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| 57 | CC DICKSON, A.G., AND J.P. RILEY (1979) |
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| 58 | CC THE ESTIMATION OF ACID DISSOCIATION CONSTANTS IN SEAWATER |
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| 59 | CC MEDIA FROM POTENTIOMETRIC TITRATIONS WITH STRONG BASE. |
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| 60 | CC I. THE IONIC PRODUCT OF WATER - KW. |
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| 61 | CC MARINE CHEMISTRY, VOL. 7, 89-99. |
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| 62 | CC |
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| 63 | CC EDMOND, J.M., AND J.M.T.M. GIESKES (1970) |
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| 64 | CC ON THE CALCULATION OF THE DEGREE OF SATURATION OF SEA WATER |
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| 65 | CC WITH RESPECT TO CALCIUM CARBONATE UNDER IN SITU CONDITIONS. |
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| 66 | CC GEOCHIM. ET COSMOCHIM. ACTA, 34, 1261-1291. |
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| 67 | CC |
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| 68 | CC INGLE, S.E. (1800) |
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| 69 | CC SOLUBILITY OF CALCITE IN THE OCEAN. |
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| 70 | CC MARINE CHEMISTRY, VOL. 3, 301-319. |
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| 71 | CC |
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| 72 | CC INGLE, S.E., C.H. CULBERSON, J.E. HAWLEY, AND R.M. PYTKOWICZ |
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| 73 | CC (1973) THE SOLUBILITY OF CALCITE IN SEAWATER AT ATMOSPHERIC |
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| 74 | CC PRESSURE AND 35 O/OO SALINITY. |
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| 75 | CC MARINE CHEMISTRY, VOL. 1, 295-307. |
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| 76 | CC |
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| 77 | CC RILEY, J. P., AND G. SKIRROW, EDS. (1965) |
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| 78 | CC CHEMICAL OCEANOGRAPHY. VOL. 1, 712 PP., ACADEMIC PRESS, |
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| 79 | CC LONDON A. NEW YORK. |
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| 80 | CC |
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| 81 | CC SCARBOROUGH, J. (1958) NUMERICAL MATHEMATICAL ANALYSIS. |
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| 82 | CC OXFORD UNIVERSITY PRESS, LONDON, 4TH ED., 576 PP.. |
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| 83 | CC |
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| 84 | CC WEISS, R. F. (1970) THE SOLUBILITY OF NITROGEN |
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| 85 | CC OXYGEN AND ARGON IN WATER AND SEAWATER. |
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| 86 | CC DEEP-SEA RESEARCH, VOL. 17, 721-735. |
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| 87 | CC |
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| 88 | CC WEISS, R. F. (1974) |
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| 89 | CC CARBON DIOXIDE IN WATER AND SEAWATER: THE SOLUBILITY OF A |
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| 90 | CC NON IDEAL GAS. MARINE CHEMISTRY, VOL. 2, 203-215. |
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| 91 | CC |
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| 92 | CC WOOSTER, W.S., A.J. LEE, AND G. DIETRICH (1969) |
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| 93 | CC REDEFINITION OF SALINITY. Z. GEOPHYS., VOL.35, 611-613. |
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| 94 | CC |
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| 95 | CC BROECKER, W.S., D.W. SPENCER, AND H. CRAIG (1982) |
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| 96 | CC GEOSECS PACIFIC EXPEDITION. VOL. 3.. HYDROGRAPHIC DATA |
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| 97 | CC 1973-1974, SUPERINTENDANT OF DOCUMENTS, U.S. GOVERNMENT |
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| 98 | CC PRINTING OFFICE, WASHINGTON, D.C., 137 PP.. |
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| 99 | CC |
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| 100 | CC |
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| 101 | CC* VARIABLE TYPE PURPOSE. |
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| 102 | CC -------- ---- -------- |
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| 103 | CC |
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| 104 | CC *PRES REAL APPROXIMATE PRESSURE AT DEPTH OF U-POINTS |
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| 105 | CC IN BAR, DUMMY VARIABLE |
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| 106 | CC *TC* REAL TEMPERATURE AT OCEAN GRID POINTS (DEG C), |
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| 107 | CC DUMMY VARIABLE |
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| 108 | CC *CL* REAL CHLORINITY (CL(O/OO)=S(O/OO)/1.80655) |
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| 109 | CC AFTER WOOSTER ET AL., 1969 |
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| 110 | CC (C.F. KALLE/DIETRICH , P. 60) |
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| 111 | CC *AKW* REAL KW, H2O DISSOC. CONSTANT, LIT ? |
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| 112 | CC *H* REAL [H+], DUMMY VARIABLE |
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| 113 | CC *rrr REAL [CO3--] [MOLE/L], DUMMY VARIABLE |
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| 114 | CC *C* REAL GIVEN [SUM(12C)O2] [MOLE/L], DUMMY VARIABLE |
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| 115 | CC *A* REAL ALKALINITY [EQV/L] AS FUNCTION OF [CO3--] |
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| 116 | CC AND [H+], DUMMY VARIABLE |
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| 117 | CC MODIFICATIONS: |
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| 118 | CC -------------- |
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| 119 | CC original : 1988 E. Maier-Reimer |
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| 120 | CC additions : 1998 O. Aumont |
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| 121 | CC modifications : 1999 C. Le Quere |
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| 122 | CC---------------------------------------------------------------------- |
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| 123 | CC parameters and commons |
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| 124 | CC ====================== |
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| 125 | CDIR$ NOLIST |
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| 126 | USE oce_trc |
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| 127 | USE trp_trc |
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| 128 | USE sms |
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| 129 | IMPLICIT NONE |
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| 130 | CDIR$ list |
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| 131 | CC---------------------------------------------------------------------- |
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| 132 | CC local declarations |
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| 133 | CC ================== |
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| 134 | C |
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| 135 | INTEGER ji, jj, jk |
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| 136 | REAL tkel, sal |
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| 137 | REAL pres, tc, r, cl |
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| 138 | REAL akw, a, c, h, akb |
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| 139 | REAL zsqrt, ztr, zlogt |
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| 140 | REAL zqtt,qtt2,sal2,sal15 |
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| 141 | C |
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| 142 | C* 21. CHEMICAL CONSTANTS - SURFACE LAYER |
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| 143 | C --------------------------------------- |
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| 144 | C |
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| 145 | C vertical slab |
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| 146 | C ============= |
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| 147 | C |
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| 148 | DO jj = 1,jpj |
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| 149 | C |
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| 150 | DO ji = 1,jpi |
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| 151 | C |
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| 152 | C* 21.1 SET ABSOLUTE TEMPERATURE |
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| 153 | C ------------------------------ |
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| 154 | C |
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| 155 | tkel = tn(ji,jj,1)+temzer |
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| 156 | qtt = tkel*perc |
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| 157 | qtt2=qtt**2 |
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| 158 | sal = sn(ji,jj,1) + (1.-tmask(ji,jj,1))*35. |
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| 159 | zqtt=log(qtt) |
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| 160 | |
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| 161 | C |
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| 162 | C* 21.2 CHLORINITY (WOOSTER ET AL., 1969) |
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| 163 | C --------------------------------------- |
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| 164 | C |
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| 165 | cl = sal*salchl |
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| 166 | C |
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| 167 | C* 21.3 LN(K0) OF SOLUBILITY OF CO2 (EQ. 12, WEISS, 1974) |
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| 168 | C ------------------------------------------------------- |
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| 169 | C |
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| 170 | cek0 = c00+c01/qtt+c02*zqtt+sal*(c03+c04*qtt+c05*qtt2) |
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| 171 | C |
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| 172 | C* 21.6 LN(K0) OF SOLUBILITY OF O2 and N2 (EQ. 4, WEISS, 1970) |
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| 173 | C ------------------------------------------------------------ |
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| 174 | C |
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| 175 | oxy = ox0+ox1/qtt+ox2*zqtt+sal*(ox3+ox4*qtt+ox5*qtt2) |
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| 176 | C |
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| 177 | C* 21.9 CO2 SOLUBILITY IN SEAWATER (WEISS, 1974, CF. EQ. 12) |
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| 178 | C ---------------------------------------------------------- |
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| 179 | C |
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| 180 | ak0 = exp(cek0)*smicr |
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| 181 | C |
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| 182 | C* 21.10 DENSITY OF SEAWATER AND TOTAL BORATE IN MOLE/ |
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| 183 | C ---------------------------------------------------- |
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| 184 | C |
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| 185 | rrr = rhop(ji,jj,1) *thousi |
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| 186 | bor = bor1*rrr*cl*bor2 |
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| 187 | C |
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| 188 | C* 21.11 SET CHEMICAL CHEMICAL CONSTANTS |
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| 189 | C -------------------------------------- |
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| 190 | C |
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| 191 | chemc(ji,jj,1) = ak0 |
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| 192 | chemc(ji,jj,2) = bor |
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| 193 | C |
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| 194 | C* 21.12 O2 SOLUBILITY IN SEAWATER (WEISS, 1970, CF. EQ. 4) |
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| 195 | C --------------------------------------------------------- |
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| 196 | C |
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| 197 | chemc(ji,jj,3) = exp(oxy)*oxyco |
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| 198 | C |
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| 199 | ENDDO |
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| 200 | END DO |
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| 201 | C |
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| 202 | C* 22. CHEMICAL CONSTANTS - DEEP OCEAN |
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| 203 | C ------------------------------------- |
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| 204 | C |
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| 205 | DO jk = 1,jpk |
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| 206 | C |
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| 207 | C* 22.1 APPROX. SEAWATER PRESSURE AT U-POINT DEPTH (BAR) |
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| 208 | C ------------------------------------------------------ |
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| 209 | C |
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| 210 | pres = 1.025e-1*gdept(jk) |
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| 211 | C |
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| 212 | DO jj=1,jpj |
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| 213 | DO ji = 1,jpi |
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| 214 | C |
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| 215 | C* 22.2 SET LIMITS FOR SEAWATER TEMP. AND SALINITY |
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| 216 | C (THIS IS DONE TO AVOID COMPUTATIONAL CRASH AT DRY |
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| 217 | C POINTS DURING CALCULATION OF CHEMICAL CONSTANTS) |
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| 218 | C |
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| 219 | C* 22.3 SET [H+] (FIRST GUESS) |
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| 220 | C ---------------------------- |
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| 221 | C |
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| 222 | hi(ji,jj,jk) = tenm7 |
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| 223 | C |
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| 224 | C* 22.4 SET ABSOLUTE TEMPERATURE |
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| 225 | C ------------------------------ |
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| 226 | C |
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| 227 | tkel = tn(ji,jj,jk)+temzer |
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| 228 | qtt = tkel*perc |
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| 229 | sal = sn(ji,jj,jk) + (1.-tmask(ji,jj,jk))*35. |
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| 230 | zsqrt = sqrt(sal) |
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| 231 | sal15 = sal**1.5 |
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| 232 | zlogt = log(tkel) |
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| 233 | ztr = 1./tkel |
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| 234 | C |
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| 235 | C* 22.5 CHLORINITY (WOOSTER ET AL., 1969) |
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| 236 | C --------------------------------------- |
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| 237 | C |
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| 238 | cl = sal*salchl |
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| 239 | C |
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| 240 | C* 22.6 LN(K0) OF SOLUBILITY OF CO2 (EQ. 12, WEISS, 1974) |
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| 241 | C ------------------------------------------------------- |
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| 242 | C |
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| 243 | cek0 = c00+c01/qtt+c02*alog(qtt)+ |
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| 244 | & sal*(c03+c04*qtt+c05*qtt**2) |
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| 245 | C |
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| 246 | C COEFFICIENT OCMIP |
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| 247 | C ------------------ |
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| 248 | C |
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| 249 | ckb = (cb0+cb1*zsqrt+cb2*sal+cb3*sal15+cb4*sal**2)*ztr |
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| 250 | $ +(cb5+cb6*zsqrt+cb7*sal)+ |
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| 251 | $ (cb8+cb9*zsqrt+cb10*sal)*zlogt+cb11*zsqrt*tkel |
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| 252 | ck1 = c10*ztr+c11+c12*zlogt+(c13*ztr+c14)*zsqrt+ |
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| 253 | $ c15*sal+c16*sal15+log(1.+c17*sal) |
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| 254 | ck2 = c20*ztr+c21+c22*zlogt+(c23*ztr+c24)*zsqrt+c25*sal |
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| 255 | $ +c26*sal15+log(1.+c27*sal) |
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| 256 | C |
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| 257 | C* 21.5 PKW (H2O) (DICKSON AND RILEY, 1979) |
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| 258 | C ----------------------------------------- |
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| 259 | C |
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| 260 | ckw = cw0*ztr+cw1+cw2*zlogt+(cw3*ztr+cw4+cw5*zlogt)* |
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| 261 | $ zsqrt+cw6*sal |
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| 262 | C |
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| 263 | C* 22.8 LN(K0) OF SOLUBILITY OF O2 (EQ. 4, WEISS, 1970) |
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| 264 | C ----------------------------------------------------- |
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| 265 | C |
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| 266 | oxy = ox0+ox1/qtt+ox2*alog(qtt)+sal*(ox3+ox4*qtt+ox5*qtt**2) |
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| 267 | C |
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| 268 | C* 22.9 K1, K2 OF CARBONIC ACID, KB OF BORIC ACID, KW (H2O) (LIT.?) |
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| 269 | C ----------------------------------------------------------------- |
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| 270 | C |
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| 271 | ak1 = exp(ck1) |
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| 272 | ak2 = exp(ck2) |
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| 273 | akb = exp(ckb) |
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| 274 | akw3(ji,jj,jk) = exp(ckw) |
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| 275 | C |
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| 276 | C*22.10 APPARENT SOLUBILITY PRODUCT K'SP OF CALCITE IN SEAWATER |
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| 277 | C (S=27-43, T=2-25 DEG C) AT pres =0 (ATMOSPH. PRESSURE) |
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| 278 | C (INGLE, 1800, EQ. 6) |
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| 279 | C ------------------------------------------------------------- |
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| 280 | C |
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| 281 | aksp0 = 1.E-7*(akcc1+akcc2*sal**(third)+akcc3*alog10(sal) |
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| 282 | & +akcc4*tkel**2) |
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| 283 | C |
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| 284 | C* 22.11 FORMULA FOR CPEXP AFTER EDMOND AND GIESKES (1970) |
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| 285 | C |
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| 286 | C (REFERENCE TO CULBERSON AND PYTKOQICZ (1968) AS MADE |
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| 287 | C IN BROECKER ET AL. (1982) IS INCORRECT; HERE RGAS IS |
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| 288 | C TAKEN TENFOLD TO CORRECT FOR THE NOTATION OF pres IN |
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| 289 | C DBAR INSTEAD OF BAR AND THE EXPRESSION FOR CPEXP IS |
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| 290 | C MULTIPLIED BY LN(10.) TO ALLOW USE OF EXP-FUNCTION |
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| 291 | C WITH BASIS E IN THE FORMULA FOR AKSPP (CF. EDMOND |
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| 292 | C AND GIESKES (1970), P. 1285 AND P. 1286 (THE SMALL |
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| 293 | C FORMULA ON P. 1286 IS RIGHT AND CONSISTENT WITH THE |
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| 294 | C SIGN IN PARTIAL MOLAR VOLUME CHANGE AS SHOWN ON |
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| 295 | C P. 1285)) |
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| 296 | C ----------------------------------------------------------- |
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| 297 | C |
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| 298 | cpexp = pres /(rgas*tkel) |
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| 299 | C |
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| 300 | C* 22.12 KB OF BORIC ACID, K1,K2 OF CARBONIC ACID PRESSURE |
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| 301 | C CORRECTION AFTER CULBERSON AND PYTKOWICZ (1968) |
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| 302 | C (CF. BROECKER ET AL., 1982) |
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| 303 | C -------------------------------------------------------- |
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| 304 | C |
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| 305 | tc = tn(ji,jj,jk) + (1.-tmask(ji,jj,jk))*20. |
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| 306 | akb3(ji,jj,jk) = akb*exp(cpexp*(devkb-devkbt*tc)) |
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| 307 | ak13(ji,jj,jk) = ak1*exp(cpexp*(devk1-devk1t*tc)) |
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| 308 | ak23(ji,jj,jk) = ak2*exp(cpexp*(devk2-devk2t*tc)) |
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| 309 | C |
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| 310 | C 22.13 APPARENT SOLUBILITY PRODUCT K'SP OF CALCITE (OR ARAGONITE) |
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| 311 | C AS FUNCTION OF PRESSURE FOLLWING EDMOND AND GIESKES (1970) |
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| 312 | C (P. 1285) AND BERNER (1976) |
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| 313 | C ----------------------------------------------------------------- |
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| 314 | C |
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| 315 | aksp(ji,jj,jk) = aracal*aksp0*exp(cpexp*(devks-devkst*tc)) |
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| 316 | C |
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| 317 | C* 22.14 DENSITY OF SEAWATER AND TOTAL BORATE CONCENTR. [MOLES/L] |
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| 318 | C --------------------------------------------------------------- |
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| 319 | C |
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| 320 | rrr = rhop(ji,jj,jk)*thousi |
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| 321 | bor = bor1*rrr*cl*bor2 |
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| 322 | borat(ji,jj,jk) = bor |
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| 323 | C |
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| 324 | ENDDO |
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| 325 | ENDDO |
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| 326 | END DO |
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| 327 | C |
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| 328 | #endif |
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| 329 | C |
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| 330 | RETURN |
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| 331 | END |
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| 332 | |
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