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https://git.gfz-potsdam.de/naaice/iphreeqc.git
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First fix of day.
git-svn-id: svn://136.177.114.72/svn_GW/phreeqc3/branches/concrete@10758 1feff8c3-07ed-0310-ac33-dd36852eb9cd
This commit is contained in:
David L Parkhurst
parent
7c56b9195e
commit
72991f1acc
74
readtr.cpp
74
readtr.cpp
@ -782,7 +782,7 @@ read_transport(void)
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*/
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if (count_por == 0)
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{
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if (old_cells < max_cells && multi_Dflag)
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if (old_cells <= max_cells && multi_Dflag)
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{
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multi_Dpor = (multi_Dpor < 1e-10 ? 1e-10 : multi_Dpor);
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if (multi_Dpor > 1e-10)
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@ -792,23 +792,49 @@ read_transport(void)
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error_string = sformatf(
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"No porosities were read; used the minimal value %8.2e from -multi_D.", multi_Dpor);
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warning_msg(error_string);
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for (i = 1; i <= max_cells; i++)
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for (i = 0; i < all_cells; i++)
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cell_data[i].por = multi_Dpor;
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}
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}
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else
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{
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for (i = 1; i <= count_por; i++)
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cell_data[i].por = pors[i - 1];
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if (max_cells > count_por)
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if ((stag_data->exch_f > 0) && (stag_data->count_stag == 1))
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{
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error_string = sformatf(
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"Porosities were read for %d cells. Last value is used till cell %d.",
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count_por, max_cells);
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"Mobile porosities were read, but mobile/immobile porosity was also defined in -stagnant. Using the values from -stagnant for mobile/immobile exchange and tortuosity factors.");
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warning_msg(error_string);
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for (i = count_por; i <= max_cells; i++)
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cell_data[i + 1].por = pors[count_por - 1];
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for (i = 1; i <= max_cells; i++)
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cell_data[i].por = stag_data->th_m;
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for (i++; i <= 2 * max_cells + 1; i++)
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cell_data[i].por = stag_data->th_im;
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}
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else
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{
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for (i = 1; i <= count_por; i++)
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cell_data[i].por = pors[i - 1];
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if (max_cells > count_por)
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{
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error_string = sformatf(
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"Porosities were read for %d cells. Last value is used till cell %d.",
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count_por, max_cells);
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warning_msg(error_string);
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for (i = count_por; i <= max_cells; i++)
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cell_data[i + 1].por = pors[count_por - 1];
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}
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}
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}
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if (interlayer_Dflag && !multi_Dflag)
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{
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input_error++;
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error_string = sformatf(
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"-multi_D must be defined, when -interlayer_D true.");
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error_msg(error_string, CONTINUE);
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}
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for (i = 0; i < all_cells; i++)
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{
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interlayer_Dpor = (interlayer_Dpor < 1e-10 ? 1e-10 : interlayer_Dpor);
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cell_data[i].por_il = interlayer_Dpor;
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}
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count_cells = max_cells;
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/*
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@ -870,24 +896,6 @@ read_transport(void)
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else if (simul_tr == 1)
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for (i = 1; i < all_cells; i++)
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cell_data[i].print = TRUE;
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/*
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* Fill in porosities
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*/
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if (interlayer_Dflag && !multi_Dflag)
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{
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input_error++;
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error_string = sformatf(
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"-multi_D must be defined, when -interlayer_D true.");
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error_msg(error_string, CONTINUE);
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}
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for (i = 0; i < all_cells; i++)
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{
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//multi_Dpor = (multi_Dpor < 1e-10 ? 1e-10 : multi_Dpor);
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interlayer_Dpor = (interlayer_Dpor < 1e-10 ? 1e-10 : interlayer_Dpor);
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//cell_data[i].por = multi_Dpor;
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cell_data[i].por_il = interlayer_Dpor;
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}
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/*
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* Calculate dump_modulus
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*/
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@ -976,8 +984,8 @@ read_transport(void)
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* free storage for length, disp, punch
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*/
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length = (LDBLE *) free_check_null(length);
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disp = (LDBLE *) free_check_null(disp);
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pors = (LDBLE *) free_check_null(pors);
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disp = (LDBLE *)free_check_null(disp);
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pors = (LDBLE *)free_check_null(pors);
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punch_temp = (int *) free_check_null(punch_temp);
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print_temp = (int *) free_check_null(print_temp);
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@ -1270,10 +1278,6 @@ dump_cpp(void)
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fs << token;
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sprintf(token, "\t-punch_cells");
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fs << token;
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//if (stag_data->count_stag > 0)
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// j = 1 + (1 + stag_data->count_stag) * count_cells;
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//else
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// j = count_cells;
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l = 0;
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for (int i = 0; i < all_cells; i++)
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{
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@ -1292,10 +1296,6 @@ dump_cpp(void)
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fs << token;
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sprintf(token, "\t-print_cells");
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fs << token;
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//if (stag_data->count_stag > 0)
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// j = 1 + (1 + stag_data->count_stag) * count_cells;
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//else
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// j = count_cells;
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l = 0;
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for (int i = 0; i < all_cells; i++)
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{
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@ -337,8 +337,8 @@ transport(void)
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/*
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* Define stagnant/mobile mix structure, if not read explicitly.
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*
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* With count_stag = 1, mix factors are calculated from exchange factor <EFBFBD>
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* (= exch_f), mobile <EFBFBD>_m (= th_m) and immobile <EFBFBD>_im (= th_im) porosity.
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* With count_stag = 1, mix factors are calculated from exchange factor alpha
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* (= exch_f), mobile th_m and immobile th_im porosity.
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* These variables are read under keyword TRANSPORT, after stagnant, in
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* structure stag_data.
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* MIX 'cell_no' in input file can be an alternative for the calculation here.
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@ -1588,7 +1588,7 @@ fill_spec(int l_cell_no)
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struct master *master_ptr;
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LDBLE dum, dum2;
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LDBLE lm;
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LDBLE por, por_il, temp_factor, temp_il_factor, viscos;
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LDBLE por, por_il, viscos_f, viscos_il_f, viscos;
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bool x_max_done = false;
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s_ptr2 = NULL;
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@ -1620,7 +1620,7 @@ fill_spec(int l_cell_no)
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sol_D[l_cell_no].tk_x = tk_x;
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temp_factor = temp_il_factor = 1.0;
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viscos_f = viscos_il_f = 1.0;
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if (l_cell_no == 0)
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{
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por = cell_data[1].por;
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@ -1637,10 +1637,10 @@ fill_spec(int l_cell_no)
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por_il = cell_data[l_cell_no].por_il;
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}
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if (por < multi_Dpor_lim)
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por = temp_factor = 0.0;
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por = viscos_f = 0.0;
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if (por_il < interlayer_Dpor_lim)
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por_il = temp_il_factor = 0.0;
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por_il = viscos_il_f = 0.0;
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/*
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* correct diffusion coefficient for temperature and viscosity, D_T = D_298 * Tk * viscos_298 / (298 * viscos)
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* modify viscosity effect: Dw(TK) = Dw(298.15) * exp(dw_t / TK - dw_t / 298.15), SC data from Robinson and Stokes, 1959
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@ -1649,8 +1649,8 @@ fill_spec(int l_cell_no)
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/*
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* put temperature factor in por_factor which corrects for porous medium...
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*/
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temp_factor *= tk_x * viscos_0_25 / (298.15 * viscos);
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temp_il_factor *= tk_x * viscos_0_25 / (298.15 * viscos);
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viscos_f *= tk_x * viscos_0_25 / (298.15 * viscos);
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viscos_il_f *= tk_x * viscos_0_25 / (298.15 * viscos);
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sol_D[l_cell_no].viscos_f = tk_x * viscos_0_25 / (298.15 * viscos);
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count_spec = count_exch_spec = 0;
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@ -1735,17 +1735,17 @@ fill_spec(int l_cell_no)
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sol_D[l_cell_no].spec[count_spec].z = s_ptr2->z;
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if (s_ptr2->dw == 0)
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sol_D[l_cell_no].spec[count_spec].Dwt =
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default_Dw * temp_il_factor;
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default_Dw * viscos_il_f;
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else
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{
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if (s_ptr2->dw_t)
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{
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sol_D[l_cell_no].spec[count_spec].Dwt = s_ptr2->dw *
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exp(s_ptr2->dw_t / 298.15 - s_ptr2->dw_t / tk_x) * temp_il_factor;
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exp(s_ptr2->dw_t / 298.15 - s_ptr2->dw_t / tk_x) * viscos_il_f;
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sol_D[l_cell_no].spec[count_spec].dw_t = s_ptr2->dw_t;
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}
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else
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sol_D[l_cell_no].spec[count_spec].Dwt = s_ptr2->dw * temp_il_factor;
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sol_D[l_cell_no].spec[count_spec].Dwt = s_ptr2->dw * viscos_il_f;
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}
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count_exch_spec++;
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count_spec++;
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@ -1765,17 +1765,17 @@ fill_spec(int l_cell_no)
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sol_D[l_cell_no].spec[count_spec].lg = s_ptr->lg;
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sol_D[l_cell_no].spec[count_spec].z = s_ptr->z;
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if (s_ptr->dw == 0)
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sol_D[l_cell_no].spec[count_spec].Dwt = default_Dw * temp_factor;
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sol_D[l_cell_no].spec[count_spec].Dwt = default_Dw * viscos_f;
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else
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{
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if (s_ptr->dw_t)
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{
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sol_D[l_cell_no].spec[count_spec].Dwt = s_ptr->dw *
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exp(s_ptr->dw_t / tk_x - s_ptr->dw_t / 298.15) * temp_factor;
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exp(s_ptr->dw_t / tk_x - s_ptr->dw_t / 298.15) * viscos_f;
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sol_D[l_cell_no].spec[count_spec].dw_t = s_ptr->dw_t;
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}
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else
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sol_D[l_cell_no].spec[count_spec].Dwt = s_ptr->dw * temp_factor;
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sol_D[l_cell_no].spec[count_spec].Dwt = s_ptr->dw * viscos_f;
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}
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if (sol_D[l_cell_no].spec[count_spec].Dwt * pow(por, multi_Dn) > diffc_max)
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diffc_max = sol_D[l_cell_no].spec[count_spec].Dwt * pow(por, multi_Dn);
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