1 | MODULE sedchem |
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2 | |
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3 | !!====================================================================== |
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4 | !! *** Module sedchem *** |
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5 | !! sediment : Variable for chemistry of the CO2 cycle |
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6 | !!====================================================================== |
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7 | !! modules used |
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8 | USE sed ! sediment global variable |
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9 | USE sedarr |
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10 | USE eosbn2, ONLY : neos |
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11 | USE lib_mpp ! distribued memory computing library |
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12 | USE par_sed |
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13 | |
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14 | IMPLICIT NONE |
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15 | PRIVATE |
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16 | |
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17 | !! * Accessibility |
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18 | PUBLIC sed_chem |
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19 | PUBLIC ahini_for_at_sed ! |
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20 | PUBLIC solve_at_general_sed ! |
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21 | |
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22 | ! Maximum number of iterations for each method |
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23 | INTEGER, PARAMETER :: jp_maxniter_atgen = 20 |
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24 | REAL(wp), PARAMETER :: pp_rdel_ah_target = 1.E-4_wp |
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25 | |
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26 | !! * Module variables |
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27 | REAL(wp) :: & |
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28 | calcon = 1.03E-2 ! mean calcite concentration [Ca2+] in sea water [mole/kg solution] |
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29 | |
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30 | REAL(wp) :: rgas = 83.14472 ! universal gas constants |
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31 | |
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32 | ! coeff. for density of sea water (Millero & Poisson 1981) |
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33 | REAL(wp), DIMENSION(5) :: Adsw |
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34 | DATA Adsw/8.24493E-1, -4.0899E-3, 7.6438E-5 , -8.246E-7, 5.3875E-9 / |
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35 | |
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36 | REAL(wp), DIMENSION(3) :: Bdsw |
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37 | DATA Bdsw / -5.72466E-3, 1.0227E-4, -1.6546E-6 / |
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38 | |
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39 | REAL(wp) :: Cdsw = 4.8314E-4 |
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40 | |
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41 | REAL(wp), DIMENSION(6) :: Ddsw |
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42 | DATA Ddsw / 999.842594 , 6.793952E-2 , -9.095290E-3, 1.001685E-4, -1.120083E-6, 6.536332E-9/ |
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43 | |
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44 | REAL(wp) :: devk10 = -25.5 |
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45 | REAL(wp) :: devk11 = -15.82 |
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46 | REAL(wp) :: devk12 = -29.48 |
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47 | REAL(wp) :: devk13 = -20.02 |
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48 | REAL(wp) :: devk14 = -18.03 |
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49 | REAL(wp) :: devk15 = -9.78 |
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50 | REAL(wp) :: devk16 = -48.76 |
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51 | REAL(wp) :: devk17 = -14.51 |
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52 | REAL(wp) :: devk18 = -23.12 |
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53 | REAL(wp) :: devk19 = -26.57 |
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54 | REAL(wp) :: devk110 = -29.48 |
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55 | ! |
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56 | REAL(wp) :: devk20 = 0.1271 |
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57 | REAL(wp) :: devk21 = -0.0219 |
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58 | REAL(wp) :: devk22 = 0.1622 |
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59 | REAL(wp) :: devk23 = 0.1119 |
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60 | REAL(wp) :: devk24 = 0.0466 |
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61 | REAL(wp) :: devk25 = -0.0090 |
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62 | REAL(wp) :: devk26 = 0.5304 |
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63 | REAL(wp) :: devk27 = 0.1211 |
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64 | REAL(wp) :: devk28 = 0.1758 |
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65 | REAL(wp) :: devk29 = 0.2020 |
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66 | REAL(wp) :: devk210 = 0.1622 |
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67 | ! |
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68 | REAL(wp) :: devk30 = 0. |
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69 | REAL(wp) :: devk31 = 0. |
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70 | REAL(wp) :: devk32 = 2.608E-3 |
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71 | REAL(wp) :: devk33 = -1.409e-3 |
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72 | REAL(wp) :: devk34 = 0.316e-3 |
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73 | REAL(wp) :: devk35 = -0.942e-3 |
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74 | REAL(wp) :: devk36 = 0. |
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75 | REAL(wp) :: devk37 = -0.321e-3 |
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76 | REAL(wp) :: devk38 = -2.647e-3 |
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77 | REAL(wp) :: devk39 = -3.042e-3 |
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78 | REAL(wp) :: devk310 = -2.6080e-3 |
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79 | ! |
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80 | REAL(wp) :: devk40 = -3.08E-3 |
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81 | REAL(wp) :: devk41 = 1.13E-3 |
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82 | REAL(wp) :: devk42 = -2.84E-3 |
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83 | REAL(wp) :: devk43 = -5.13E-3 |
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84 | REAL(wp) :: devk44 = -4.53e-3 |
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85 | REAL(wp) :: devk45 = -3.91e-3 |
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86 | REAL(wp) :: devk46 = -11.76e-3 |
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87 | REAL(wp) :: devk47 = -2.67e-3 |
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88 | REAL(wp) :: devk48 = -5.15e-3 |
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89 | REAL(wp) :: devk49 = -4.08e-3 |
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90 | REAL(wp) :: devk410 = -2.84e-3 |
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91 | ! |
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92 | REAL(wp) :: devk50 = 0.0877E-3 |
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93 | REAL(wp) :: devk51 = -0.1475E-3 |
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94 | REAL(wp) :: devk52 = 0. |
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95 | REAL(wp) :: devk53 = 0.0794E-3 |
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96 | REAL(wp) :: devk54 = 0.09e-3 |
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97 | REAL(wp) :: devk55 = 0.054e-3 |
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98 | REAL(wp) :: devk56 = 0.3692E-3 |
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99 | REAL(wp) :: devk57 = 0.0427e-3 |
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100 | REAL(wp) :: devk58 = 0.09e-3 |
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101 | REAL(wp) :: devk59 = 0.0714e-3 |
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102 | REAL(wp) :: devk510 = 0.0 |
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103 | |
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104 | !! $Id$ |
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105 | CONTAINS |
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106 | |
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107 | SUBROUTINE sed_chem( kt ) |
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108 | !!---------------------------------------------------------------------- |
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109 | !! *** ROUTINE sed_chem *** |
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110 | !! |
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111 | !! ** Purpose : set chemical constants |
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112 | !! |
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113 | !! History : |
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114 | !! ! 04-10 (N. Emprin, M. Gehlen ) Original code |
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115 | !! ! 06-04 (C. Ethe) Re-organization |
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116 | !!---------------------------------------------------------------------- |
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117 | !!* Arguments |
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118 | INTEGER, INTENT(in) :: kt ! time step |
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119 | |
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120 | INTEGER :: ji, jj, ikt |
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121 | REAL(wp) :: ztc, ztc2 |
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122 | REAL(wp) :: zsal, zsal15 |
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123 | REAL(wp) :: zdens0, zaw, zbw, zcw |
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124 | REAL(wp), DIMENSION(jpi,jpj,15) :: zchem_data |
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125 | !!---------------------------------------------------------------------- |
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126 | |
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127 | |
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128 | IF( ln_timing ) CALL timing_start('sed_chem') |
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129 | |
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130 | IF (lwp) WRITE(numsed,*) ' Getting Chemical constants from tracer model at time kt = ', kt |
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131 | IF (lwp) WRITE(numsed,*) ' ' |
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132 | |
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133 | ! reading variables |
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134 | zchem_data(:,:,:) = rtrn |
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135 | |
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136 | IF (ln_sediment_offline) THEN |
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137 | CALL sed_chem_cst |
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138 | ELSE |
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139 | DO jj = 1,jpj |
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140 | DO ji = 1, jpi |
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141 | ikt = mbkt(ji,jj) |
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142 | IF ( tmask(ji,jj,ikt) == 1 ) THEN |
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143 | zchem_data(ji,jj,1) = ak13 (ji,jj,ikt) |
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144 | zchem_data(ji,jj,2) = ak23 (ji,jj,ikt) |
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145 | zchem_data(ji,jj,3) = akb3 (ji,jj,ikt) |
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146 | zchem_data(ji,jj,4) = akw3 (ji,jj,ikt) |
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147 | zchem_data(ji,jj,5) = aksp (ji,jj,ikt) |
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148 | zchem_data(ji,jj,6) = borat (ji,jj,ikt) |
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149 | zchem_data(ji,jj,7) = ak1p3 (ji,jj,ikt) |
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150 | zchem_data(ji,jj,8) = ak2p3 (ji,jj,ikt) |
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151 | zchem_data(ji,jj,9) = ak3p3 (ji,jj,ikt) |
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152 | zchem_data(ji,jj,10)= aksi3 (ji,jj,ikt) |
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153 | zchem_data(ji,jj,11)= sio3eq(ji,jj,ikt) |
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154 | zchem_data(ji,jj,12)= aks3 (ji,jj,ikt) |
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155 | zchem_data(ji,jj,13)= akf3 (ji,jj,ikt) |
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156 | zchem_data(ji,jj,14)= sulfat(ji,jj,ikt) |
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157 | zchem_data(ji,jj,15)= fluorid(ji,jj,ikt) |
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158 | ENDIF |
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159 | ENDDO |
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160 | ENDDO |
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161 | |
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162 | CALL pack_arr ( jpoce, ak1s (1:jpoce), zchem_data(1:jpi,1:jpj,1) , iarroce(1:jpoce) ) |
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163 | CALL pack_arr ( jpoce, ak2s (1:jpoce), zchem_data(1:jpi,1:jpj,2) , iarroce(1:jpoce) ) |
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164 | CALL pack_arr ( jpoce, akbs (1:jpoce), zchem_data(1:jpi,1:jpj,3) , iarroce(1:jpoce) ) |
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165 | CALL pack_arr ( jpoce, akws (1:jpoce), zchem_data(1:jpi,1:jpj,4) , iarroce(1:jpoce) ) |
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166 | CALL pack_arr ( jpoce, aksps (1:jpoce), zchem_data(1:jpi,1:jpj,5) , iarroce(1:jpoce) ) |
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167 | CALL pack_arr ( jpoce, borats(1:jpoce), zchem_data(1:jpi,1:jpj,6) , iarroce(1:jpoce) ) |
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168 | CALL pack_arr ( jpoce, ak1ps (1:jpoce), zchem_data(1:jpi,1:jpj,7) , iarroce(1:jpoce) ) |
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169 | CALL pack_arr ( jpoce, ak2ps (1:jpoce), zchem_data(1:jpi,1:jpj,8) , iarroce(1:jpoce) ) |
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170 | CALL pack_arr ( jpoce, ak3ps (1:jpoce), zchem_data(1:jpi,1:jpj,9) , iarroce(1:jpoce) ) |
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171 | CALL pack_arr ( jpoce, aksis (1:jpoce), zchem_data(1:jpi,1:jpj,10), iarroce(1:jpoce) ) |
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172 | CALL pack_arr ( jpoce, sieqs (1:jpoce), zchem_data(1:jpi,1:jpj,11), iarroce(1:jpoce) ) |
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173 | CALL pack_arr ( jpoce, aks3s (1:jpoce), zchem_data(1:jpi,1:jpj,12), iarroce(1:jpoce) ) |
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174 | CALL pack_arr ( jpoce, akf3s (1:jpoce), zchem_data(1:jpi,1:jpj,13), iarroce(1:jpoce) ) |
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175 | CALL pack_arr ( jpoce, sulfats(1:jpoce), zchem_data(1:jpi,1:jpj,14), iarroce(1:jpoce) ) |
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176 | CALL pack_arr ( jpoce, fluorids(1:jpoce), zchem_data(1:jpi,1:jpj,15), iarroce(1:jpoce) ) |
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177 | ENDIF |
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178 | |
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179 | DO ji = 1, jpoce |
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180 | ztc = temp(ji) |
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181 | ztc2 = ztc * ztc |
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182 | ! zqtt = ztkel * 0.01 |
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183 | zsal = salt(ji) |
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184 | zsal15 = SQRT( zsal ) * zsal |
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185 | |
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186 | ! Density of Sea Water - F(temp,sal) [kg/m3] |
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187 | zdens0 = Ddsw(1) + Ddsw(2) * ztc + Ddsw(3) * ztc2 & |
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188 | + Ddsw(4) * ztc * ztc2 + Ddsw(5) * ztc2 * ztc2 & |
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189 | + Ddsw(6) * ztc * ztc2 * ztc2 |
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190 | zaw = Adsw(1) + Adsw(2) * ztc + Adsw(3)* ztc2 + Adsw(4) * ztc * ztc2 & |
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191 | + Adsw(5) * ztc2 * ztc2 |
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192 | zbw = Bdsw(1) + Bdsw(2) * ztc + Bdsw(3) * ztc2 |
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193 | zcw = Cdsw |
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194 | densSW(ji) = zdens0 + zaw * zsal + zbw * zsal15 + zcw * zsal * zsal |
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195 | densSW(ji) = densSW(ji) * 1E-3 ! to get dens in [kg/l] |
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196 | |
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197 | ak12s (ji) = ak1s (ji) * ak2s (ji) |
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198 | ak12ps (ji) = ak1ps(ji) * ak2ps(ji) |
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199 | ak123ps(ji) = ak1ps(ji) * ak2ps(ji) * ak3ps(ji) |
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200 | |
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201 | calcon2(ji) = 0.01028 * ( salt(ji) / 35. ) * densSW(ji) |
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202 | ENDDO |
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203 | |
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204 | IF( ln_timing ) CALL timing_stop('sed_chem') |
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205 | |
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206 | END SUBROUTINE sed_chem |
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207 | |
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208 | SUBROUTINE ahini_for_at_sed(p_hini) |
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209 | !!--------------------------------------------------------------------- |
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210 | !! *** ROUTINE ahini_for_at *** |
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211 | !! |
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212 | !! Subroutine returns the root for the 2nd order approximation of the |
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213 | !! DIC -- B_T -- A_CB equation for [H+] (reformulated as a cubic |
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214 | !! polynomial) around the local minimum, if it exists. |
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215 | !! Returns * 1E-03_wp if p_alkcb <= 0 |
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216 | !! * 1E-10_wp if p_alkcb >= 2*p_dictot + p_bortot |
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217 | !! * 1E-07_wp if 0 < p_alkcb < 2*p_dictot + p_bortot |
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218 | !! and the 2nd order approximation does not have |
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219 | !! a solution |
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220 | !!--------------------------------------------------------------------- |
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221 | REAL(wp), DIMENSION(jpoce,jpksed), INTENT(OUT) :: p_hini |
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222 | INTEGER :: ji, jk |
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223 | REAL(wp) :: zca1, zba1 |
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224 | REAL(wp) :: zd, zsqrtd, zhmin |
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225 | REAL(wp) :: za2, za1, za0 |
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226 | REAL(wp) :: p_dictot, p_bortot, p_alkcb |
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227 | |
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228 | IF( ln_timing ) CALL timing_start('ahini_for_at_sed') |
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229 | ! |
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230 | DO jk = 1, jpksed |
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231 | DO ji = 1, jpoce |
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232 | p_alkcb = pwcp(ji,jk,jwalk) / densSW(ji) |
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233 | p_dictot = pwcp(ji,jk,jwdic) / densSW(ji) |
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234 | p_bortot = borats(ji) / densSW(ji) |
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235 | IF (p_alkcb <= 0.) THEN |
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236 | p_hini(ji,jk) = 1.e-3 |
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237 | ELSEIF (p_alkcb >= (2.*p_dictot + p_bortot)) THEN |
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238 | p_hini(ji,jk) = 1.e-10_wp |
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239 | ELSE |
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240 | zca1 = p_dictot/( p_alkcb + rtrn ) |
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241 | zba1 = p_bortot/ (p_alkcb + rtrn ) |
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242 | ! Coefficients of the cubic polynomial |
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243 | za2 = aKbs(ji)*(1. - zba1) + ak1s(ji)*(1.-zca1) |
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244 | za1 = ak1s(ji)*akbs(ji)*(1. - zba1 - zca1) & |
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245 | & + ak1s(ji)*ak2s(ji)*(1. - (zca1+zca1)) |
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246 | za0 = ak1s(ji)*ak2s(ji)*akbs(ji)*(1. - zba1 - (zca1+zca1)) |
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247 | ! Taylor expansion around the minimum |
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248 | zd = za2*za2 - 3.*za1 ! Discriminant of the quadratic equation |
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249 | ! for the minimum close to the root |
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250 | |
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251 | IF(zd > 0.) THEN ! If the discriminant is positive |
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252 | zsqrtd = SQRT(zd) |
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253 | IF(za2 < 0) THEN |
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254 | zhmin = (-za2 + zsqrtd)/3. |
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255 | ELSE |
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256 | zhmin = -za1/(za2 + zsqrtd) |
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257 | ENDIF |
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258 | p_hini(ji,jk) = zhmin + SQRT(-(za0 + zhmin*(za1 + zhmin*(za2 + zhmin)))/zsqrtd) |
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259 | ELSE |
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260 | p_hini(ji,jk) = 1.e-7 |
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261 | ENDIF |
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262 | ! |
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263 | ENDIF |
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264 | END DO |
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265 | END DO |
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266 | ! |
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267 | IF( ln_timing ) CALL timing_stop('ahini_for_at_sed') |
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268 | ! |
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269 | END SUBROUTINE ahini_for_at_sed |
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270 | |
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271 | !=============================================================================== |
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272 | SUBROUTINE anw_infsup_sed( p_alknw_inf, p_alknw_sup ) |
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273 | |
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274 | ! Subroutine returns the lower and upper bounds of "non-water-selfionization" |
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275 | ! contributions to total alkalinity (the infimum and the supremum), i.e |
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276 | ! inf(TA - [OH-] + [H+]) and sup(TA - [OH-] + [H+]) |
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277 | |
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278 | ! Argument variables |
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279 | INTEGER :: jk |
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280 | REAL(wp), DIMENSION(jpoce,jpksed), INTENT(OUT) :: p_alknw_inf |
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281 | REAL(wp), DIMENSION(jpoce,jpksed), INTENT(OUT) :: p_alknw_sup |
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282 | |
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283 | DO jk = 1, jpksed |
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284 | p_alknw_inf(:,jk) = -pwcp(:,jk,jwpo4) / densSW(:) |
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285 | p_alknw_sup(:,jk) = (2. * pwcp(:,jk,jwdic) + 2. * pwcp(:,jk,jwpo4) + pwcp(:,jk,jwsil) & |
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286 | & + borats(:) ) / densSW(:) |
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287 | END DO |
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288 | |
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289 | END SUBROUTINE anw_infsup_sed |
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290 | |
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291 | |
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292 | SUBROUTINE solve_at_general_sed( p_hini, zhi ) |
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293 | |
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294 | ! Universal pH solver that converges from any given initial value, |
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295 | ! determines upper an lower bounds for the solution if required |
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296 | |
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297 | ! Argument variables |
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298 | !-------------------- |
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299 | REAL(wp), DIMENSION(jpoce,jpksed), INTENT(IN) :: p_hini |
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300 | REAL(wp), DIMENSION(jpoce,jpksed), INTENT(OUT) :: zhi |
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301 | |
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302 | ! Local variables |
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303 | !----------------- |
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304 | INTEGER :: ji, jk, jn |
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305 | REAL(wp) :: zh_ini, zh, zh_prev, zh_lnfactor |
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306 | REAL(wp) :: zdelta, zh_delta |
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307 | REAL(wp) :: zeqn, zdeqndh, zalka |
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308 | REAL(wp) :: aphscale |
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309 | REAL(wp) :: znumer_dic, zdnumer_dic, zdenom_dic, zalk_dic, zdalk_dic |
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310 | REAL(wp) :: znumer_bor, zdnumer_bor, zdenom_bor, zalk_bor, zdalk_bor |
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311 | REAL(wp) :: znumer_po4, zdnumer_po4, zdenom_po4, zalk_po4, zdalk_po4 |
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312 | REAL(wp) :: znumer_sil, zdnumer_sil, zdenom_sil, zalk_sil, zdalk_sil |
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313 | REAL(wp) :: znumer_so4, zdnumer_so4, zdenom_so4, zalk_so4, zdalk_so4 |
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314 | REAL(wp) :: znumer_flu, zdnumer_flu, zdenom_flu, zalk_flu, zdalk_flu |
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315 | REAL(wp) :: zalk_wat, zdalk_wat |
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316 | REAL(wp) :: zfact, p_alktot, zdic, zbot, zpt, zst, zft, zsit |
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317 | LOGICAL :: l_exitnow |
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318 | REAL(wp), PARAMETER :: pz_exp_threshold = 1.0 |
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319 | REAL(wp), DIMENSION(jpoce,jpksed) :: zalknw_inf, zalknw_sup, rmask, zh_min, zh_max, zeqn_absmin |
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320 | |
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321 | IF( ln_timing ) CALL timing_start('solve_at_general_sed') |
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322 | ! Allocate temporary workspace |
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323 | CALL anw_infsup_sed( zalknw_inf, zalknw_sup ) |
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324 | |
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325 | rmask(:,:) = 1.0 |
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326 | zhi(:,:) = 0. |
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327 | |
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328 | ! TOTAL H+ scale: conversion factor for Htot = aphscale * Hfree |
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329 | DO jk = 1, jpksed |
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330 | DO ji = 1, jpoce |
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331 | IF (rmask(ji,jk) == 1.) THEN |
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332 | p_alktot = pwcp(ji,jk,jwalk) / densSW(ji) |
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333 | aphscale = 1. + sulfats(ji)/aks3s(ji) |
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334 | zh_ini = p_hini(ji,jk) |
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335 | |
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336 | zdelta = (p_alktot-zalknw_inf(ji,jk))**2 + 4.*akws(ji) / aphscale |
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337 | |
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338 | IF(p_alktot >= zalknw_inf(ji,jk)) THEN |
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339 | zh_min(ji,jk) = 2.*akws(ji) /( p_alktot-zalknw_inf(ji,jk) + SQRT(zdelta) ) |
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340 | ELSE |
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341 | zh_min(ji,jk) = aphscale * (-(p_alktot-zalknw_inf(ji,jk)) + SQRT(zdelta) ) / 2. |
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342 | ENDIF |
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343 | |
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344 | zdelta = (p_alktot-zalknw_sup(ji,jk))**2 + 4.*akws(ji) / aphscale |
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345 | |
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346 | IF(p_alktot <= zalknw_sup(ji,jk)) THEN |
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347 | zh_max(ji,jk) = aphscale * (-(p_alktot-zalknw_sup(ji,jk)) + SQRT(zdelta) ) / 2. |
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348 | ELSE |
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349 | zh_max(ji,jk) = 2.*akws(ji) /( p_alktot-zalknw_sup(ji,jk) + SQRT(zdelta) ) |
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350 | ENDIF |
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351 | |
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352 | zhi(ji,jk) = MAX(MIN(zh_max(ji,jk), zh_ini), zh_min(ji,jk)) |
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353 | ENDIF |
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354 | END DO |
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355 | END DO |
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356 | |
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357 | zeqn_absmin(:,:) = HUGE(1._wp) |
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358 | |
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359 | DO jn = 1, jp_maxniter_atgen |
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360 | DO jk = 1, jpksed |
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361 | DO ji = 1, jpoce |
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362 | IF (rmask(ji,jk) == 1.) THEN |
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363 | |
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364 | p_alktot = pwcp(ji,jk,jwalk) / densSW(ji) |
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365 | zdic = pwcp(ji,jk,jwdic) / densSW(ji) |
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366 | zbot = borats(ji) / densSW(ji) |
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367 | zpt = pwcp(ji,jk,jwpo4) / densSW(ji) |
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368 | zsit = pwcp(ji,jk,jwsil) / densSW(ji) |
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369 | zst = sulfats(ji) |
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370 | zft = fluorids(ji) |
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371 | aphscale = 1. + sulfats(ji)/aks3s(ji) |
---|
372 | zh = zhi(ji,jk) |
---|
373 | zh_prev = zh |
---|
374 | |
---|
375 | ! H2CO3 - HCO3 - CO3 : n=2, m=0 |
---|
376 | znumer_dic = 2.*ak1s(ji)*ak2s(ji) + zh*ak1s(ji) |
---|
377 | zdenom_dic = ak1s(ji)*ak2s(ji) + zh*(ak1s(ji) + zh) |
---|
378 | zalk_dic = zdic * (znumer_dic/zdenom_dic) |
---|
379 | zdnumer_dic = ak1s(ji)*ak1s(ji)*ak2s(ji) + zh & |
---|
380 | *(4.*ak1s(ji)*ak2s(ji) + zh*ak1s(ji)) |
---|
381 | zdalk_dic = -zdic*(zdnumer_dic/zdenom_dic**2) |
---|
382 | |
---|
383 | |
---|
384 | ! B(OH)3 - B(OH)4 : n=1, m=0 |
---|
385 | znumer_bor = akbs(ji) |
---|
386 | zdenom_bor = akbs(ji) + zh |
---|
387 | zalk_bor = zbot * (znumer_bor/zdenom_bor) |
---|
388 | zdnumer_bor = akbs(ji) |
---|
389 | zdalk_bor = -zbot*(zdnumer_bor/zdenom_bor**2) |
---|
390 | |
---|
391 | |
---|
392 | ! H3PO4 - H2PO4 - HPO4 - PO4 : n=3, m=1 |
---|
393 | znumer_po4 = 3.*ak1ps(ji)*ak2ps(ji)*ak3ps(ji) & |
---|
394 | & + zh*(2.*ak1ps(ji)*ak2ps(ji) + zh* ak1ps(ji)) |
---|
395 | zdenom_po4 = ak1ps(ji)*ak2ps(ji)*ak3ps(ji) & |
---|
396 | & + zh*( ak1ps(ji)*ak2ps(ji) + zh*(ak1ps(ji) + zh)) |
---|
397 | zalk_po4 = zpt * (znumer_po4/zdenom_po4 - 1.) ! Zero level of H3PO4 = 1 |
---|
398 | zdnumer_po4 = ak1ps(ji)*ak2ps(ji)*ak1ps(ji)*ak2ps(ji)*ak3ps(ji) & |
---|
399 | & + zh*(4.*ak1ps(ji)*ak1ps(ji)*ak2ps(ji)*ak3ps(ji) & |
---|
400 | & + zh*(9.*ak1ps(ji)*ak2ps(ji)*ak3ps(ji) & |
---|
401 | & + ak1ps(ji)*ak1ps(ji)*ak2ps(ji) & |
---|
402 | & + zh*(4.*ak1ps(ji)*ak2ps(ji) + zh * ak1ps(ji) ) ) ) |
---|
403 | zdalk_po4 = -zpt * (zdnumer_po4/zdenom_po4**2) |
---|
404 | |
---|
405 | ! H4SiO4 - H3SiO4 : n=1, m=0 |
---|
406 | znumer_sil = aksis(ji) |
---|
407 | zdenom_sil = aksis(ji) + zh |
---|
408 | zalk_sil = zsit * (znumer_sil/zdenom_sil) |
---|
409 | zdnumer_sil = aksis(ji) |
---|
410 | zdalk_sil = -zsit * (zdnumer_sil/zdenom_sil**2) |
---|
411 | |
---|
412 | ! HSO4 - SO4 : n=1, m=1 |
---|
413 | aphscale = 1.0 + zst/aks3s(ji) |
---|
414 | znumer_so4 = aks3s(ji) * aphscale |
---|
415 | zdenom_so4 = aks3s(ji) * aphscale + zh |
---|
416 | zalk_so4 = zst * (znumer_so4/zdenom_so4 - 1.) |
---|
417 | zdnumer_so4 = aks3s(ji) * aphscale |
---|
418 | zdalk_so4 = -zst * (zdnumer_so4/zdenom_so4**2) |
---|
419 | |
---|
420 | ! HF - F : n=1, m=1 |
---|
421 | znumer_flu = akf3s(ji) |
---|
422 | zdenom_flu = akf3s(ji) + zh |
---|
423 | zalk_flu = zft * (znumer_flu/zdenom_flu - 1.) |
---|
424 | zdnumer_flu = akf3s(ji) |
---|
425 | zdalk_flu = -zft * (zdnumer_flu/zdenom_flu**2) |
---|
426 | |
---|
427 | ! H2O - OH |
---|
428 | zalk_wat = akws(ji)/zh - zh/aphscale |
---|
429 | zdalk_wat = -akws(ji)/zh**2 - 1./aphscale |
---|
430 | |
---|
431 | ! CALCULATE [ALK]([CO3--], [HCO3-]) |
---|
432 | zeqn = zalk_dic + zalk_bor + zalk_po4 + zalk_sil & |
---|
433 | & + zalk_so4 + zalk_flu & |
---|
434 | & + zalk_wat - p_alktot |
---|
435 | |
---|
436 | zalka = p_alktot - (zalk_bor + zalk_po4 + zalk_sil & |
---|
437 | & + zalk_so4 + zalk_flu + zalk_wat) |
---|
438 | |
---|
439 | zdeqndh = zdalk_dic + zdalk_bor + zdalk_po4 + zdalk_sil & |
---|
440 | & + zdalk_so4 + zdalk_flu + zdalk_wat |
---|
441 | |
---|
442 | ! Adapt bracketing interval |
---|
443 | IF(zeqn > 0._wp) THEN |
---|
444 | zh_min(ji,jk) = zh_prev |
---|
445 | ELSEIF(zeqn < 0._wp) THEN |
---|
446 | zh_max(ji,jk) = zh_prev |
---|
447 | ENDIF |
---|
448 | |
---|
449 | IF(ABS(zeqn) >= 0.5_wp*zeqn_absmin(ji,jk)) THEN |
---|
450 | ! if the function evaluation at the current point is |
---|
451 | ! not decreasing faster than with a bisection step (at least linearly) |
---|
452 | ! in absolute value take one bisection step on [ph_min, ph_max] |
---|
453 | ! ph_new = (ph_min + ph_max)/2d0 |
---|
454 | ! |
---|
455 | ! In terms of [H]_new: |
---|
456 | ! [H]_new = 10**(-ph_new) |
---|
457 | ! = 10**(-(ph_min + ph_max)/2d0) |
---|
458 | ! = SQRT(10**(-(ph_min + phmax))) |
---|
459 | ! = SQRT(zh_max * zh_min) |
---|
460 | zh = SQRT(zh_max(ji,jk) * zh_min(ji,jk)) |
---|
461 | zh_lnfactor = (zh - zh_prev)/zh_prev ! Required to test convergence below |
---|
462 | ELSE |
---|
463 | ! dzeqn/dpH = dzeqn/d[H] * d[H]/dpH |
---|
464 | ! = -zdeqndh * LOG(10) * [H] |
---|
465 | ! \Delta pH = -zeqn/(zdeqndh*d[H]/dpH) = zeqn/(zdeqndh*[H]*LOG(10)) |
---|
466 | ! |
---|
467 | ! pH_new = pH_old + \deltapH |
---|
468 | ! |
---|
469 | ! [H]_new = 10**(-pH_new) |
---|
470 | ! = 10**(-pH_old - \Delta pH) |
---|
471 | ! = [H]_old * 10**(-zeqn/(zdeqndh*[H]_old*LOG(10))) |
---|
472 | ! = [H]_old * EXP(-LOG(10)*zeqn/(zdeqndh*[H]_old*LOG(10))) |
---|
473 | ! = [H]_old * EXP(-zeqn/(zdeqndh*[H]_old)) |
---|
474 | |
---|
475 | zh_lnfactor = -zeqn/(zdeqndh*zh_prev) |
---|
476 | |
---|
477 | IF(ABS(zh_lnfactor) > pz_exp_threshold) THEN |
---|
478 | zh = zh_prev*EXP(zh_lnfactor) |
---|
479 | ELSE |
---|
480 | zh_delta = zh_lnfactor*zh_prev |
---|
481 | zh = zh_prev + zh_delta |
---|
482 | ENDIF |
---|
483 | |
---|
484 | IF( zh < zh_min(ji,jk) ) THEN |
---|
485 | ! if [H]_new < [H]_min |
---|
486 | ! i.e., if ph_new > ph_max then |
---|
487 | ! take one bisection step on [ph_prev, ph_max] |
---|
488 | ! ph_new = (ph_prev + ph_max)/2d0 |
---|
489 | ! In terms of [H]_new: |
---|
490 | ! [H]_new = 10**(-ph_new) |
---|
491 | ! = 10**(-(ph_prev + ph_max)/2d0) |
---|
492 | ! = SQRT(10**(-(ph_prev + phmax))) |
---|
493 | ! = SQRT([H]_old*10**(-ph_max)) |
---|
494 | ! = SQRT([H]_old * zh_min) |
---|
495 | zh = SQRT(zh_prev * zh_min(ji,jk)) |
---|
496 | zh_lnfactor = (zh - zh_prev)/zh_prev ! Required to test convergence below |
---|
497 | ENDIF |
---|
498 | |
---|
499 | IF( zh > zh_max(ji,jk) ) THEN |
---|
500 | ! if [H]_new > [H]_max |
---|
501 | ! i.e., if ph_new < ph_min, then |
---|
502 | ! take one bisection step on [ph_min, ph_prev] |
---|
503 | ! ph_new = (ph_prev + ph_min)/2d0 |
---|
504 | ! In terms of [H]_new: |
---|
505 | ! [H]_new = 10**(-ph_new) |
---|
506 | ! = 10**(-(ph_prev + ph_min)/2d0) |
---|
507 | ! = SQRT(10**(-(ph_prev + ph_min))) |
---|
508 | ! = SQRT([H]_old*10**(-ph_min)) |
---|
509 | ! = SQRT([H]_old * zhmax) |
---|
510 | zh = SQRT(zh_prev * zh_max(ji,jk)) |
---|
511 | zh_lnfactor = (zh - zh_prev)/zh_prev ! Required to test convergence below |
---|
512 | ENDIF |
---|
513 | ENDIF |
---|
514 | |
---|
515 | zeqn_absmin(ji,jk) = MIN( ABS(zeqn), zeqn_absmin(ji,jk)) |
---|
516 | |
---|
517 | ! Stop iterations once |\delta{[H]}/[H]| < rdel |
---|
518 | ! <=> |(zh - zh_prev)/zh_prev| = |EXP(-zeqn/(zdeqndh*zh_prev)) -1| < rdel |
---|
519 | ! |EXP(-zeqn/(zdeqndh*zh_prev)) -1| ~ |zeqn/(zdeqndh*zh_prev)| |
---|
520 | ! Alternatively: |
---|
521 | ! |\Delta pH| = |zeqn/(zdeqndh*zh_prev*LOG(10))| |
---|
522 | ! ~ 1/LOG(10) * |\Delta [H]|/[H] |
---|
523 | ! < 1/LOG(10) * rdel |
---|
524 | |
---|
525 | ! Hence |zeqn/(zdeqndh*zh)| < rdel |
---|
526 | |
---|
527 | ! rdel <-- pp_rdel_ah_target |
---|
528 | l_exitnow = (ABS(zh_lnfactor) < pp_rdel_ah_target) |
---|
529 | |
---|
530 | IF(l_exitnow) THEN |
---|
531 | rmask(ji,jk) = 0. |
---|
532 | ENDIF |
---|
533 | |
---|
534 | zhi(ji,jk) = zh |
---|
535 | |
---|
536 | IF(jn >= jp_maxniter_atgen) THEN |
---|
537 | zhi(ji,jk) = -1._wp |
---|
538 | ENDIF |
---|
539 | |
---|
540 | ENDIF |
---|
541 | END DO |
---|
542 | END DO |
---|
543 | END DO |
---|
544 | ! |
---|
545 | IF( ln_timing ) CALL timing_stop('solve_at_general_sed') |
---|
546 | |
---|
547 | END SUBROUTINE solve_at_general_sed |
---|
548 | |
---|
549 | SUBROUTINE sed_chem_cst |
---|
550 | !!--------------------------------------------------------------------- |
---|
551 | !! *** ROUTINE sed_chem_cst *** |
---|
552 | !! |
---|
553 | !! ** Purpose : Sea water chemistry computed following MOCSY protocol |
---|
554 | !! Computation is done at the bottom of the ocean only |
---|
555 | !! |
---|
556 | !! ** Method : - ... |
---|
557 | !!--------------------------------------------------------------------- |
---|
558 | INTEGER :: ji |
---|
559 | REAL(wp), DIMENSION(jpoce) :: saltprac, temps |
---|
560 | REAL(wp) :: ztkel, ztkel1, zt , zsal , zsal2 , zbuf1 , zbuf2 |
---|
561 | REAL(wp) :: ztgg , ztgg2, ztgg3 , ztgg4 , ztgg5 |
---|
562 | REAL(wp) :: zpres, ztc , zcl , zcpexp, zoxy , zcpexp2 |
---|
563 | REAL(wp) :: zsqrt, ztr , zlogt , zcek1, zc1, zplat |
---|
564 | REAL(wp) :: zis , zis2 , zsal15, zisqrt, za1, za2 |
---|
565 | REAL(wp) :: zckb , zck1 , zck2 , zckw , zak1 , zak2 , zakb , zaksp0, zakw |
---|
566 | REAL(wp) :: zck1p, zck2p, zck3p, zcksi, zak1p, zak2p, zak3p, zaksi |
---|
567 | REAL(wp) :: zst , zft , zcks , zckf , zaksp1 |
---|
568 | REAL(wp) :: total2free, free2SWS, total2SWS, SWS2total |
---|
569 | !!--------------------------------------------------------------------- |
---|
570 | ! |
---|
571 | IF( ln_timing ) CALL timing_start('sed_chem_cst') |
---|
572 | ! |
---|
573 | ! Computation of chemical constants require practical salinity |
---|
574 | ! Thus, when TEOS08 is used, absolute salinity is converted to |
---|
575 | ! practical salinity |
---|
576 | ! ------------------------------------------------------------- |
---|
577 | IF (neos == -1) THEN |
---|
578 | saltprac(:) = salt(:) * 35.0 / 35.16504 |
---|
579 | ELSE |
---|
580 | saltprac(:) = temp(:) |
---|
581 | ENDIF |
---|
582 | |
---|
583 | ! |
---|
584 | ! Computations of chemical constants require in situ temperature |
---|
585 | ! Here a quite simple formulation is used to convert |
---|
586 | ! potential temperature to in situ temperature. The errors is less than |
---|
587 | ! 0.04°C relative to an exact computation |
---|
588 | ! --------------------------------------------------------------------- |
---|
589 | DO ji = 1, jpoce |
---|
590 | zpres = zkbot(ji) / 1000. |
---|
591 | za1 = 0.04 * ( 1.0 + 0.185 * temp(ji) + 0.035 * (saltprac(ji) - 35.0) ) |
---|
592 | za2 = 0.0075 * ( 1.0 - temp(ji) / 30.0 ) |
---|
593 | temps(ji) = temp(ji) - za1 * zpres + za2 * zpres**2 |
---|
594 | END DO |
---|
595 | |
---|
596 | ! CHEMICAL CONSTANTS - DEEP OCEAN |
---|
597 | ! ------------------------------- |
---|
598 | DO ji = 1, jpoce |
---|
599 | ! SET PRESSION ACCORDING TO SAUNDER (1980) |
---|
600 | zc1 = 5.92E-3 |
---|
601 | zpres = ((1-zc1)-SQRT(((1-zc1)**2)-(8.84E-6*zkbot(ji)))) / 4.42E-6 |
---|
602 | zpres = zpres / 10.0 |
---|
603 | |
---|
604 | ! SET ABSOLUTE TEMPERATURE |
---|
605 | ztkel = temps(ji) + 273.15 |
---|
606 | zsal = saltprac(ji) |
---|
607 | zsqrt = SQRT( zsal ) |
---|
608 | zsal15 = zsqrt * zsal |
---|
609 | zlogt = LOG( ztkel ) |
---|
610 | ztr = 1. / ztkel |
---|
611 | zis = 19.924 * zsal / ( 1000.- 1.005 * zsal ) |
---|
612 | zis2 = zis * zis |
---|
613 | zisqrt = SQRT( zis ) |
---|
614 | ztc = temps(ji) |
---|
615 | |
---|
616 | ! CHLORINITY (WOOSTER ET AL., 1969) |
---|
617 | zcl = zsal / 1.80655 |
---|
618 | |
---|
619 | ! TOTAL SULFATE CONCENTR. [MOLES/kg soln] |
---|
620 | zst = 0.14 * zcl /96.062 |
---|
621 | |
---|
622 | ! TOTAL FLUORIDE CONCENTR. [MOLES/kg soln] |
---|
623 | zft = 0.000067 * zcl /18.9984 |
---|
624 | |
---|
625 | ! DISSOCIATION CONSTANT FOR SULFATES on free H scale (Dickson 1990) |
---|
626 | zcks = EXP(-4276.1 * ztr + 141.328 - 23.093 * zlogt & |
---|
627 | & + (-13856. * ztr + 324.57 - 47.986 * zlogt) * zisqrt & |
---|
628 | & + (35474. * ztr - 771.54 + 114.723 * zlogt) * zis & |
---|
629 | & - 2698. * ztr * zis**1.5 + 1776.* ztr * zis2 & |
---|
630 | & + LOG(1.0 - 0.001005 * zsal)) |
---|
631 | |
---|
632 | ! DISSOCIATION CONSTANT FOR FLUORIDES on free H scale (Dickson and Riley 79) |
---|
633 | zckf = EXP( 1590.2*ztr - 12.641 + 1.525*zisqrt & |
---|
634 | & + LOG(1.0d0 - 0.001005d0*zsal) & |
---|
635 | & + LOG(1.0d0 + zst/zcks)) |
---|
636 | |
---|
637 | ! DISSOCIATION CONSTANT FOR CARBONATE AND BORATE |
---|
638 | zckb= (-8966.90 - 2890.53*zsqrt - 77.942*zsal & |
---|
639 | & + 1.728*zsal15 - 0.0996*zsal*zsal)*ztr & |
---|
640 | & + (148.0248 + 137.1942*zsqrt + 1.62142*zsal) & |
---|
641 | & + (-24.4344 - 25.085*zsqrt - 0.2474*zsal) & |
---|
642 | & * zlogt + 0.053105*zsqrt*ztkel |
---|
643 | |
---|
644 | ! DISSOCIATION COEFFICIENT FOR CARBONATE ACCORDING TO |
---|
645 | ! MEHRBACH (1973) REFIT BY MILLERO (1995), seawater scale |
---|
646 | zck1 = -1.0*(3633.86*ztr - 61.2172 + 9.6777*zlogt & |
---|
647 | - 0.011555*zsal + 0.0001152*zsal*zsal) |
---|
648 | zck2 = -1.0*(471.78*ztr + 25.9290 - 3.16967*zlogt & |
---|
649 | - 0.01781*zsal + 0.0001122*zsal*zsal) |
---|
650 | |
---|
651 | ! PKW (H2O) (MILLERO, 1995) from composite data |
---|
652 | zckw = -13847.26 * ztr + 148.9652 - 23.6521 * zlogt + ( 118.67 * ztr & |
---|
653 | - 5.977 + 1.0495 * zlogt ) * zsqrt - 0.01615 * zsal |
---|
654 | |
---|
655 | ! CONSTANTS FOR PHOSPHATE (MILLERO, 1995) |
---|
656 | zck1p = -4576.752*ztr + 115.540 - 18.453*zlogt & |
---|
657 | & + (-106.736*ztr + 0.69171) * zsqrt & |
---|
658 | & + (-0.65643*ztr - 0.01844) * zsal |
---|
659 | |
---|
660 | zck2p = -8814.715*ztr + 172.1033 - 27.927*zlogt & |
---|
661 | & + (-160.340*ztr + 1.3566)*zsqrt & |
---|
662 | & + (0.37335*ztr - 0.05778)*zsal |
---|
663 | |
---|
664 | zck3p = -3070.75*ztr - 18.126 & |
---|
665 | & + (17.27039*ztr + 2.81197) * zsqrt & |
---|
666 | & + (-44.99486*ztr - 0.09984) * zsal |
---|
667 | |
---|
668 | ! CONSTANT FOR SILICATE, MILLERO (1995) |
---|
669 | zcksi = -8904.2*ztr + 117.400 - 19.334*zlogt & |
---|
670 | & + (-458.79*ztr + 3.5913) * zisqrt & |
---|
671 | & + (188.74*ztr - 1.5998) * zis & |
---|
672 | & + (-12.1652*ztr + 0.07871) * zis2 & |
---|
673 | & + LOG(1.0 - 0.001005*zsal) |
---|
674 | |
---|
675 | ! APPARENT SOLUBILITY PRODUCT K'SP OF CALCITE IN SEAWATER |
---|
676 | ! (S=27-43, T=2-25 DEG C) at pres =0 (atmos. pressure) (MUCCI 1983) |
---|
677 | zaksp0 = -171.9065 -0.077993*ztkel + 2839.319*ztr + 71.595*LOG10( ztkel ) & |
---|
678 | & + (-0.77712 + 0.00284263*ztkel + 178.34*ztr) * zsqrt & |
---|
679 | & - 0.07711*zsal + 0.0041249*zsal15 |
---|
680 | |
---|
681 | ! CONVERT FROM DIFFERENT PH SCALES |
---|
682 | total2free = 1.0/(1.0 + zst/zcks) |
---|
683 | free2SWS = 1. + zst/zcks + zft/(zckf*total2free) |
---|
684 | total2SWS = total2free * free2SWS |
---|
685 | SWS2total = 1.0 / total2SWS |
---|
686 | |
---|
687 | |
---|
688 | ! K1, K2 OF CARBONIC ACID, KB OF BORIC ACID, KW (H2O) (LIT.?) |
---|
689 | zak1 = 10**(zck1) * total2SWS |
---|
690 | zak2 = 10**(zck2) * total2SWS |
---|
691 | zakb = EXP( zckb ) * total2SWS |
---|
692 | zakw = EXP( zckw ) |
---|
693 | zaksp1 = 10**(zaksp0) |
---|
694 | zak1p = exp( zck1p ) |
---|
695 | zak2p = exp( zck2p ) |
---|
696 | zak3p = exp( zck3p ) |
---|
697 | zaksi = exp( zcksi ) |
---|
698 | zckf = zckf * total2SWS |
---|
699 | |
---|
700 | ! FORMULA FOR CPEXP AFTER EDMOND & GIESKES (1970) |
---|
701 | ! (REFERENCE TO CULBERSON & PYTKOQICZ (1968) AS MADE |
---|
702 | ! IN BROECKER ET AL. (1982) IS INCORRECT; HERE RGAS IS |
---|
703 | ! TAKEN TENFOLD TO CORRECT FOR THE NOTATION OF pres IN |
---|
704 | ! DBAR INSTEAD OF BAR AND THE EXPRESSION FOR CPEXP IS |
---|
705 | ! MULTIPLIED BY LN(10.) TO ALLOW USE OF EXP-FUNCTION |
---|
706 | ! WITH BASIS E IN THE FORMULA FOR AKSPP (CF. EDMOND |
---|
707 | ! & GIESKES (1970), P. 1285-1286 (THE SMALL |
---|
708 | ! FORMULA ON P. 1286 IS RIGHT AND CONSISTENT WITH THE |
---|
709 | ! SIGN IN PARTIAL MOLAR VOLUME CHANGE AS SHOWN ON P. 1285)) |
---|
710 | zcpexp = zpres / (rgas*ztkel) |
---|
711 | zcpexp2 = zpres * zcpexp |
---|
712 | |
---|
713 | ! KB OF BORIC ACID, K1,K2 OF CARBONIC ACID PRESSURE |
---|
714 | ! CORRECTION AFTER CULBERSON AND PYTKOWICZ (1968) |
---|
715 | ! (CF. BROECKER ET AL., 1982) |
---|
716 | |
---|
717 | zbuf1 = - ( devk10 + devk20 * ztc + devk30 * ztc * ztc ) |
---|
718 | zbuf2 = 0.5 * ( devk40 + devk50 * ztc ) |
---|
719 | ak1s(ji) = zak1 * EXP( zbuf1 * zcpexp + zbuf2 * zcpexp2 ) |
---|
720 | |
---|
721 | zbuf1 = - ( devk11 + devk21 * ztc + devk31 * ztc * ztc ) |
---|
722 | zbuf2 = 0.5 * ( devk41 + devk51 * ztc ) |
---|
723 | ak2s(ji) = zak2 * EXP( zbuf1 * zcpexp + zbuf2 * zcpexp2 ) |
---|
724 | |
---|
725 | zbuf1 = - ( devk12 + devk22 * ztc + devk32 * ztc * ztc ) |
---|
726 | zbuf2 = 0.5 * ( devk42 + devk52 * ztc ) |
---|
727 | akbs(ji) = zakb * EXP( zbuf1 * zcpexp + zbuf2 * zcpexp2 ) |
---|
728 | |
---|
729 | zbuf1 = - ( devk13 + devk23 * ztc + devk33 * ztc * ztc ) |
---|
730 | zbuf2 = 0.5 * ( devk43 + devk53 * ztc ) |
---|
731 | akws(ji) = zakw * EXP( zbuf1 * zcpexp + zbuf2 * zcpexp2 ) |
---|
732 | |
---|
733 | zbuf1 = - ( devk14 + devk24 * ztc + devk34 * ztc * ztc ) |
---|
734 | zbuf2 = 0.5 * ( devk44 + devk54 * ztc ) |
---|
735 | aks3s(ji) = zcks * EXP( zbuf1 * zcpexp + zbuf2 * zcpexp2 ) |
---|
736 | |
---|
737 | zbuf1 = - ( devk15 + devk25 * ztc + devk35 * ztc * ztc ) |
---|
738 | zbuf2 = 0.5 * ( devk45 + devk55 * ztc ) |
---|
739 | akf3s(ji) = zckf * EXP( zbuf1 * zcpexp + zbuf2 * zcpexp2 ) |
---|
740 | |
---|
741 | zbuf1 = - ( devk17 + devk27 * ztc + devk37 * ztc * ztc ) |
---|
742 | zbuf2 = 0.5 * ( devk47 + devk57 * ztc ) |
---|
743 | ak1ps(ji) = zak1p * EXP( zbuf1 * zcpexp + zbuf2 * zcpexp2 ) |
---|
744 | |
---|
745 | zbuf1 = - ( devk18 + devk28 * ztc + devk38 * ztc * ztc ) |
---|
746 | zbuf2 = 0.5 * ( devk48 + devk58 * ztc ) |
---|
747 | ak2ps(ji) = zak2p * EXP( zbuf1 * zcpexp + zbuf2 * zcpexp2 ) |
---|
748 | |
---|
749 | zbuf1 = - ( devk110 + devk210 * ztc + devk310 * ztc * ztc ) |
---|
750 | zbuf2 = 0.5 * ( devk410 + devk510 * ztc ) |
---|
751 | aksis(ji) = zaksi * EXP( zbuf1 * zcpexp + zbuf2 * zcpexp2 ) |
---|
752 | |
---|
753 | ! Convert to total scale |
---|
754 | ak1s(ji) = ak1s(ji) * SWS2total |
---|
755 | ak2s(ji) = ak2s(ji) * SWS2total |
---|
756 | akbs(ji) = akbs(ji) * SWS2total |
---|
757 | akws(ji) = akws(ji) * SWS2total |
---|
758 | ak1ps(ji) = ak1ps(ji) * SWS2total |
---|
759 | ak2ps(ji) = ak2ps(ji) * SWS2total |
---|
760 | ak3ps(ji) = ak3ps(ji) * SWS2total |
---|
761 | aksis(ji) = aksis(ji) * SWS2total |
---|
762 | akf3s(ji) = akf3s(ji) / total2free |
---|
763 | |
---|
764 | ! APPARENT SOLUBILITY PRODUCT K'SP OF CALCITE |
---|
765 | ! AS FUNCTION OF PRESSURE FOLLOWING MILLERO |
---|
766 | ! (P. 1285) AND BERNER (1976) |
---|
767 | zbuf1 = - ( devk16 + devk26 * ztc + devk36 * ztc * ztc ) |
---|
768 | zbuf2 = 0.5 * ( devk46 + devk56 * ztc ) |
---|
769 | aksps(ji) = zaksp1 * EXP( zbuf1 * zcpexp + zbuf2 * zcpexp2 ) |
---|
770 | |
---|
771 | ! TOTAL F, S, and BORATE CONCENTR. [MOLES/L] |
---|
772 | borats(ji) = 0.0002414 * zcl / 10.811 |
---|
773 | sulfats(ji) = zst |
---|
774 | fluorids(ji) = zft |
---|
775 | |
---|
776 | ! Iron and SIO3 saturation concentration from ... |
---|
777 | sieqs(ji) = EXP( LOG( 10.) * ( 6.44 - 968. / ztkel ) ) * 1.e-6 |
---|
778 | END DO |
---|
779 | ! |
---|
780 | IF( ln_timing ) CALL timing_stop('sed_chem_cst') |
---|
781 | ! |
---|
782 | END SUBROUTINE sed_chem_cst |
---|
783 | |
---|
784 | |
---|
785 | END MODULE sedchem |
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