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