N_solute_transport.c

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/*****************************************************************************
*
* MODULE:       Grass PDE Numerical Library
* AUTHOR(S):    Soeren Gebbert, Berlin (GER) Dec 2006
*               soerengebbert <at> gmx <dot> de
*               
* PURPOSE:      solute transport in porous media
*               part of the gpde library
*
* COPYRIGHT:    (C) 2007 by the GRASS Development Team
*
*               This program is free software under the GNU General Public
*               License (>=v2). Read the file COPYING that comes with GRASS
*               for details.
*
*****************************************************************************/

#include "grass/N_solute_transport.h"
#include <math.h>

/* ************************************************************************* *
 * ************************************************************************* *
 * ************************************************************************* */
N_data_star *N_callback_solute_transport_3d(void *solutedata,
                                            N_geom_data * geom, int col,
                                            int row, int depth)
{
    double Df_e = 0, Df_w = 0, Df_n = 0, Df_s = 0, Df_t = 0, Df_b = 0;

    double dx, dy, dz, Az;

    double diff_x, diff_y, diff_z;

    double diff_xw, diff_yn;

    double diff_xe, diff_ys;

    double diff_zt, diff_zb;

    double cin = 0, cg, cg_start;

    double R, nf, cs, q;

    double C, W, E, N, S, T, B, V;

    double vw = 0, ve = 0, vn = 0, vs = 0, vt = 0, vb = 0;

    double Ds_w = 0, Ds_e = 0, Ds_n = 0, Ds_s = 0, Ds_t = 0, Ds_b = 0;

    double Dw = 0, De = 0, Dn = 0, Ds = 0, Dt = 0, Db = 0;

    double rw = 0.5, re = 0.5, rn = 0.5, rs = 0.5, rt = 0.5, rb = 0.5;

    N_solute_transport_data3d *data = NULL;

    N_data_star *mat_pos;

    N_gradient_3d grad;

    /*cast the void pointer to the right data structure */
    data = (N_solute_transport_data3d *) solutedata;

    N_get_gradient_3d(data->grad, &grad, col, row, depth);

    dx = geom->dx;
    dy = geom->dy;
    dz = geom->dz;
    Az = N_get_geom_data_area_of_cell(geom, row);

    /*read the data from the arrays */
    cg_start = N_get_array_3d_d_value(data->c_start, col, row, depth);
    cg = N_get_array_3d_d_value(data->c, col, row, depth);

    /*get the surrounding diffusion tensor entries */
    diff_x = N_get_array_3d_d_value(data->diff_x, col, row, depth);
    diff_y = N_get_array_3d_d_value(data->diff_y, col, row, depth);
    diff_z = N_get_array_3d_d_value(data->diff_z, col, row, depth);
    diff_xw = N_get_array_3d_d_value(data->diff_x, col - 1, row, depth);
    diff_xe = N_get_array_3d_d_value(data->diff_x, col + 1, row, depth);
    diff_yn = N_get_array_3d_d_value(data->diff_y, col, row - 1, depth);
    diff_ys = N_get_array_3d_d_value(data->diff_y, col, row + 1, depth);
    diff_zt = N_get_array_3d_d_value(data->diff_z, col, row, depth + 1);
    diff_zb = N_get_array_3d_d_value(data->diff_z, col, row, depth - 1);

    /* calculate the diffusion on the cell borders using the harmonical mean */
    Df_w = N_calc_harmonic_mean(diff_xw, diff_x);
    Df_e = N_calc_harmonic_mean(diff_xe, diff_x);
    Df_n = N_calc_harmonic_mean(diff_yn, diff_y);
    Df_s = N_calc_harmonic_mean(diff_ys, diff_y);
    Df_t = N_calc_harmonic_mean(diff_zt, diff_z);
    Df_b = N_calc_harmonic_mean(diff_zb, diff_z);

    /* calculate the dispersion */
    /*todo */

    /* calculate the velocity parts  with full upwinding scheme */
    vw = grad.WC;
    ve = grad.EC;
    vn = grad.NC;
    vs = grad.SC;
    vt = grad.TC;
    vb = grad.BC;

    /* put the diffusion and dispersion together */
    Dw = ((Df_w + Ds_w)) / dx;
    De = ((Df_e + Ds_e)) / dx;
    Dn = ((Df_n + Ds_n)) / dy;
    Ds = ((Df_s + Ds_s)) / dy;
    Dt = ((Df_t + Ds_t)) / dz;
    Db = ((Df_b + Ds_b)) / dz;

    rw = N_exp_upwinding(-1 * vw, dx, Dw);
    re = N_exp_upwinding(ve, dx, De);
    rs = N_exp_upwinding(-1 * vs, dy, Ds);
    rn = N_exp_upwinding(vn, dy, Dn);
    rb = N_exp_upwinding(-1 * vb, dz, Dn);
    rt = N_exp_upwinding(vt, dz, Dn);

    /*mass balance center cell to western cell */
    W = -1 * (Dw) * dy * dz - vw * (1 - rw) * dy * dz;
    /*mass balance center cell to eastern cell */
    E = -1 * (De) * dy * dz + ve * (1 - re) * dy * dz;
    /*mass balance center cell to southern cell */
    S = -1 * (Ds) * dx * dz - vs * (1 - rs) * dx * dz;
    /*mass balance center cell to northern cell */
    N = -1 * (Dn) * dx * dz + vn * (1 - rn) * dx * dz;
    /*mass balance center cell to bottom cell */
    B = -1 * (Db) * Az - vb * (1 - rb) * Az;
    /*mass balance center cell to top cell */
    T = -1 * (Dt) * Az + vt * (1 - rt) * Az;

    /* Retardation */
    R = N_get_array_3d_d_value(data->R, col, row, depth);
    /* Inner sources */
    cs = N_get_array_3d_d_value(data->cs, col, row, depth);
    /* effective porosity */
    nf = N_get_array_3d_d_value(data->nf, col, row, depth);
    /* groundwater sources and sinks */
    q = N_get_array_3d_d_value(data->q, col, row, depth);
    /* concentration of influent water */
    cin = N_get_array_3d_d_value(data->cin, col, row, depth);

    /*the diagonal entry of the matrix */
    C = ((Dw - vw) * dy * dz +
         (De + ve) * dy * dz +
         (Ds - vs) * dx * dz +
         (Dn + vn) * dx * dz +
         (Db - vb) * Az + (Dt + vt) * Az + Az * dz * R / data->dt - q / nf);

    /*the entry in the right side b of Ax = b */
    V = (cs + cg_start * Az * dz * R / data->dt - q / nf * cin);

    /*
     * printf("nf %g\n", nf);
     * printf("q %g\n", q);
     * printf("cs %g\n", cs);
     * printf("cin %g\n", cin);
     * printf("cg %g\n", cg);
     * printf("cg_start %g\n", cg_start);
     * printf("Az %g\n", Az);
     * printf("z %g\n", z);
     * printf("R %g\n", R);
     * printf("dt %g\n", data->dt);
     */
    G_debug(6, "N_callback_solute_transport_3d: called [%i][%i][%i]", row,
            col, depth);

    /*create the 7 point star entries */
    mat_pos = N_create_7star(C, W, E, N, S, T, B, V);

    return mat_pos;
}

/* ************************************************************************* *
 * ************************************************************************* *
 * ************************************************************************* */
N_data_star *N_callback_solute_transport_2d(void *solutedata,
                                            N_geom_data * geom, int col,
                                            int row)
{
    double Df_e = 0, Df_w = 0, Df_n = 0, Df_s = 0;

    double z_e = 0, z_w = 0, z_n = 0, z_s = 0;

    double dx, dy, Az;

    double diff_x, diff_y;

    double disp_x, disp_y;

    double z;

    double diff_xw, diff_yn;

    double disp_xw, disp_yn;

    double z_xw, z_yn;

    double diff_xe, diff_ys;

    double disp_xe, disp_ys;

    double z_xe, z_ys;

    double cin = 0, cg, cg_start;

    double R, nf, cs, q;

    double C, W, E, N, S, V, NE, NW, SW, SE;

    double vw = 0, ve = 0, vn = 0, vs = 0;

    double Ds_w = 0, Ds_e = 0, Ds_n = 0, Ds_s = 0;

    double Dw = 0, De = 0, Dn = 0, Ds = 0;

    double rw = 0.5, re = 0.5, rn = 0.5, rs = 0.5;

    N_solute_transport_data2d *data = NULL;

    N_data_star *mat_pos;

    N_gradient_2d grad;

    /*cast the void pointer to the right data structure */
    data = (N_solute_transport_data2d *) solutedata;

    N_get_gradient_2d(data->grad, &grad, col, row);

    dx = geom->dx;
    dy = geom->dy;
    Az = N_get_geom_data_area_of_cell(geom, row);

    /*read the data from the arrays */
    cg_start = N_get_array_2d_d_value(data->c_start, col, row);
    cg = N_get_array_2d_d_value(data->c, col, row);

    /* calculate the cell height */
    z = N_get_array_2d_d_value(data->top, col,
                               row) -
        N_get_array_2d_d_value(data->bottom, col, row);
    z_xw =
        N_get_array_2d_d_value(data->top, col - 1,
                               row) -
        N_get_array_2d_d_value(data->bottom, col - 1, row);
    z_xe =
        N_get_array_2d_d_value(data->top, col + 1,
                               row) -
        N_get_array_2d_d_value(data->bottom, col + 1, row);
    z_yn =
        N_get_array_2d_d_value(data->top, col,
                               row - 1) -
        N_get_array_2d_d_value(data->bottom, col, row - 1);
    z_ys =
        N_get_array_2d_d_value(data->top, col,
                               row + 1) -
        N_get_array_2d_d_value(data->bottom, col, row + 1);

    /*geometrical mean of cell height */
    z_w = N_calc_geom_mean(z_xw, z);
    z_e = N_calc_geom_mean(z_xe, z);
    z_n = N_calc_geom_mean(z_yn, z);
    z_s = N_calc_geom_mean(z_ys, z);

    /*get the surrounding diffusion tensor entries */
    diff_x = N_get_array_2d_d_value(data->diff_x, col, row);
    diff_y = N_get_array_2d_d_value(data->diff_y, col, row);
    diff_xw = N_get_array_2d_d_value(data->diff_x, col - 1, row);
    diff_xe = N_get_array_2d_d_value(data->diff_x, col + 1, row);
    diff_yn = N_get_array_2d_d_value(data->diff_y, col, row - 1);
    diff_ys = N_get_array_2d_d_value(data->diff_y, col, row + 1);

    /* calculate the diffusion at the cell borders using the harmonical mean */
    Df_w = N_calc_harmonic_mean(diff_xw, diff_x);
    Df_e = N_calc_harmonic_mean(diff_xe, diff_x);
    Df_n = N_calc_harmonic_mean(diff_yn, diff_y);
    Df_s = N_calc_harmonic_mean(diff_ys, diff_y);

    /* calculate the dispersion */
    /*get the surrounding dispersion tensor entries */
    disp_x = N_get_array_2d_d_value(data->disp_xx, col, row);
    disp_y = N_get_array_2d_d_value(data->disp_yy, col, row);
    if (N_get_array_2d_d_value(data->status, col - 1, row) ==
        N_CELL_TRANSMISSION) {
        disp_xw = disp_x;
    }
    else {
        disp_xw = N_get_array_2d_d_value(data->disp_xx, col - 1, row);
    }
    if (N_get_array_2d_d_value(data->status, col + 1, row) ==
        N_CELL_TRANSMISSION) {
        disp_xe = disp_x;
    }
    else {
        disp_xe = N_get_array_2d_d_value(data->disp_xx, col + 1, row);
    }
    if (N_get_array_2d_d_value(data->status, col, row - 1) ==
        N_CELL_TRANSMISSION) {
        disp_yn = disp_y;
    }
    else {
        disp_yn = N_get_array_2d_d_value(data->disp_yy, col, row - 1);
    }
    if (N_get_array_2d_d_value(data->status, col, row + 1) ==
        N_CELL_TRANSMISSION) {
        disp_ys = disp_y;
    }
    else {
        disp_ys = N_get_array_2d_d_value(data->disp_yy, col, row + 1);
    }

    /* calculate the dispersion at the cell borders using the harmonical mean */
    Ds_w = N_calc_harmonic_mean(disp_xw, disp_x);
    Ds_e = N_calc_harmonic_mean(disp_xe, disp_x);
    Ds_n = N_calc_harmonic_mean(disp_yn, disp_y);
    Ds_s = N_calc_harmonic_mean(disp_ys, disp_y);

    /* put the diffusion and dispersion together */
    Dw = ((Df_w + Ds_w)) / dx;
    De = ((Df_e + Ds_e)) / dx;
    Ds = ((Df_s + Ds_s)) / dy;
    Dn = ((Df_n + Ds_n)) / dy;

    vw = -1.0 * grad.WC;
    ve = grad.EC;
    vs = -1.0 * grad.SC;
    vn = grad.NC;

    if (data->stab == N_UPWIND_FULL) {
        rw = N_full_upwinding(vw, dx, Dw);
        re = N_full_upwinding(ve, dx, De);
        rs = N_full_upwinding(vs, dy, Ds);
        rn = N_full_upwinding(vn, dy, Dn);
    }
    else if (data->stab == N_UPWIND_EXP) {
        rw = N_exp_upwinding(vw, dx, Dw);
        re = N_exp_upwinding(ve, dx, De);
        rs = N_exp_upwinding(vs, dy, Ds);
        rn = N_exp_upwinding(vn, dy, Dn);
    }

    /*mass balance center cell to western cell */
    W = -1 * (Dw) * dy * z_w + vw * (1 - rw) * dy * z_w;
    /*mass balance center cell to eastern cell */
    E = -1 * (De) * dy * z_e + ve * (1 - re) * dy * z_e;
    /*mass balance center cell to southern cell */
    S = -1 * (Ds) * dx * z_s + vs * (1 - rs) * dx * z_s;
    /*mass balance center cell to northern cell */
    N = -1 * (Dn) * dx * z_n + vn * (1 - rn) * dx * z_n;

    NW = 0.0;
    SW = 0.0;
    NE = 0.0;
    SE = 0.0;

    /* Retardation */
    R = N_get_array_2d_d_value(data->R, col, row);
    /* Inner sources */
    cs = N_get_array_2d_d_value(data->cs, col, row);
    /* effective porosity */
    nf = N_get_array_2d_d_value(data->nf, col, row);
    /* groundwater sources and sinks */
    q = N_get_array_2d_d_value(data->q, col, row);
    /* concentration of influent water */
    cin = N_get_array_2d_d_value(data->cin, col, row);

    /*the diagonal entry of the matrix */
    C = (Dw + vw * rw) * dy * z_w +
        (De + ve * re) * dy * z_e +
        (Ds + vs * rs) * dx * z_s +
        (Dn + vn * rn) * dx * z_n + Az * z * R / data->dt - q / nf;

    /*the entry in the right side b of Ax = b */
    V = (cs + cg_start * Az * z * R / data->dt + q / nf * cin);

    /*
       fprintf(stderr, "nf %g\n", nf);
       fprintf(stderr, "q %g\n", q);
       fprintf(stderr, "cs %g\n", cs);
       fprintf(stderr, "cin %g\n", cin);
       fprintf(stderr, "cg %g\n", cg);
       fprintf(stderr, "cg_start %g\n", cg_start);
       fprintf(stderr, "Az %g\n", Az);
       fprintf(stderr, "z %g\n", z);
       fprintf(stderr, "R %g\n", R);
       fprintf(stderr, "dt %g\n", data->dt);
     */

    G_debug(6, "N_callback_solute_transport_2d: called [%i][%i]", row, col);

    /*create the 9 point star entries */
    mat_pos = N_create_9star(C, W, E, N, S, NW, SW, NE, SE, V);

    return mat_pos;
}

/* ************************************************************************* *
 * ************************************************************************* *
 * ************************************************************************* */
N_solute_transport_data3d *N_alloc_solute_transport_data3d(int cols, int rows,
                                                           int depths)
{
    N_solute_transport_data3d *data = NULL;

    data =
        (N_solute_transport_data3d *) G_calloc(1,
                                               sizeof
                                               (N_solute_transport_data3d));

    data->c = N_alloc_array_3d(cols, rows, depths, 1, DCELL_TYPE);
    data->c_start = N_alloc_array_3d(cols, rows, depths, 1, DCELL_TYPE);
    data->status = N_alloc_array_3d(cols, rows, depths, 1, DCELL_TYPE);
    data->diff_x = N_alloc_array_3d(cols, rows, depths, 1, DCELL_TYPE);
    data->diff_y = N_alloc_array_3d(cols, rows, depths, 1, DCELL_TYPE);
    data->diff_z = N_alloc_array_3d(cols, rows, depths, 1, DCELL_TYPE);
    data->q = N_alloc_array_3d(cols, rows, depths, 1, DCELL_TYPE);
    data->cs = N_alloc_array_3d(cols, rows, depths, 1, DCELL_TYPE);
    data->R = N_alloc_array_3d(cols, rows, depths, 1, DCELL_TYPE);
    data->nf = N_alloc_array_3d(cols, rows, depths, 1, DCELL_TYPE);
    data->cin = N_alloc_array_3d(cols, rows, depths, 1, DCELL_TYPE);

    /*Allocate the dispersivity tensor */
    data->disp_xx = N_alloc_array_3d(cols, rows, depths, 1, DCELL_TYPE);
    data->disp_yy = N_alloc_array_3d(cols, rows, depths, 1, DCELL_TYPE);
    data->disp_zz = N_alloc_array_3d(cols, rows, depths, 1, DCELL_TYPE);
    data->disp_xy = N_alloc_array_3d(cols, rows, depths, 1, DCELL_TYPE);
    data->disp_xz = N_alloc_array_3d(cols, rows, depths, 1, DCELL_TYPE);
    data->disp_yz = N_alloc_array_3d(cols, rows, depths, 1, DCELL_TYPE);


    data->grad = N_alloc_gradient_field_3d(cols, rows, depths);
    data->stab = N_UPWIND_EXP;

    return data;
}

/* ************************************************************************* *
 * ************************************************************************* *
 * ************************************************************************* */
N_solute_transport_data2d *N_alloc_solute_transport_data2d(int cols, int rows)
{
    N_solute_transport_data2d *data = NULL;

    data =
        (N_solute_transport_data2d *) G_calloc(1,
                                               sizeof
                                               (N_solute_transport_data2d));

    data->c = N_alloc_array_2d(cols, rows, 1, DCELL_TYPE);
    data->c_start = N_alloc_array_2d(cols, rows, 1, DCELL_TYPE);
    data->status = N_alloc_array_2d(cols, rows, 1, DCELL_TYPE);
    data->diff_x = N_alloc_array_2d(cols, rows, 1, DCELL_TYPE);
    data->diff_y = N_alloc_array_2d(cols, rows, 1, DCELL_TYPE);
    data->q = N_alloc_array_2d(cols, rows, 1, DCELL_TYPE);
    data->cs = N_alloc_array_2d(cols, rows, 1, DCELL_TYPE);
    data->R = N_alloc_array_2d(cols, rows, 1, DCELL_TYPE);
    data->nf = N_alloc_array_2d(cols, rows, 1, DCELL_TYPE);
    data->cin = N_alloc_array_2d(cols, rows, 1, DCELL_TYPE);
    data->top = N_alloc_array_2d(cols, rows, 1, DCELL_TYPE);
    data->bottom = N_alloc_array_2d(cols, rows, 1, DCELL_TYPE);

    /*Allocate the dispersivity tensor */
    data->disp_xx = N_alloc_array_2d(cols, rows, 1, DCELL_TYPE);
    data->disp_yy = N_alloc_array_2d(cols, rows, 1, DCELL_TYPE);
    data->disp_xy = N_alloc_array_2d(cols, rows, 1, DCELL_TYPE);

    data->grad = N_alloc_gradient_field_2d(cols, rows);
    data->stab = N_UPWIND_EXP;

    return data;
}

/* ************************************************************************* *
 * ************************************************************************* *
 * ************************************************************************* */
void N_free_solute_transport_data3d(N_solute_transport_data3d * data)
{
    N_free_array_3d(data->c);
    N_free_array_3d(data->c_start);
    N_free_array_3d(data->status);
    N_free_array_3d(data->diff_x);
    N_free_array_3d(data->diff_y);
    N_free_array_3d(data->diff_z);
    N_free_array_3d(data->q);
    N_free_array_3d(data->cs);
    N_free_array_3d(data->R);
    N_free_array_3d(data->nf);
    N_free_array_3d(data->cin);

    N_free_array_3d(data->disp_xx);
    N_free_array_3d(data->disp_yy);
    N_free_array_3d(data->disp_zz);
    N_free_array_3d(data->disp_xy);
    N_free_array_3d(data->disp_xz);
    N_free_array_3d(data->disp_yz);

    G_free(data);

    data = NULL;

    return;
}

/* ************************************************************************* *
 * ************************************************************************* *
 * ************************************************************************* */
void N_free_solute_transport_data2d(N_solute_transport_data2d * data)
{
    N_free_array_2d(data->c);
    N_free_array_2d(data->c_start);
    N_free_array_2d(data->status);
    N_free_array_2d(data->diff_x);
    N_free_array_2d(data->diff_y);
    N_free_array_2d(data->q);
    N_free_array_2d(data->cs);
    N_free_array_2d(data->R);
    N_free_array_2d(data->nf);
    N_free_array_2d(data->cin);
    N_free_array_2d(data->top);
    N_free_array_2d(data->bottom);

    N_free_array_2d(data->disp_xx);
    N_free_array_2d(data->disp_yy);
    N_free_array_2d(data->disp_xy);

    G_free(data);

    data = NULL;

    return;
}

void N_calc_solute_transport_transmission_2d(N_solute_transport_data2d * data)
{
    int i, j, count = 1;

    int cols, rows;

    double c;

    N_gradient_2d grad;

    cols = data->grad->cols;
    rows = data->grad->rows;

    G_debug(2,
            "N_calc_solute_transport_transmission_2d: calculating transmission boundary");

    for (j = 0; j < rows; j++) {
        for (i = 0; i < cols; i++) {
            if (N_get_array_2d_d_value(data->status, i, j) ==
                N_CELL_TRANSMISSION) {
                count = 0;
                /*get the gradient neighbours */
                N_get_gradient_2d(data->grad, &grad, i, j);
                c = 0;
                /*
                   c = N_get_array_2d_d_value(data->c_start, i, j);
                   if(c > 0)
                   count++;
                 */

                if (grad.WC > 0 &&
                    !N_is_array_2d_value_null(data->c, i - 1, j)) {
                    c += N_get_array_2d_d_value(data->c, i - 1, j);
                    count++;
                }
                if (grad.EC < 0 &&
                    !N_is_array_2d_value_null(data->c, i + 1, j)) {
                    c += N_get_array_2d_d_value(data->c, i + 1, j);
                    count++;
                }
                if (grad.NC < 0 &&
                    !N_is_array_2d_value_null(data->c, i, j - 1)) {
                    c += N_get_array_2d_d_value(data->c, i, j - 1);
                    count++;
                }
                if (grad.SC > 0 &&
                    !N_is_array_2d_value_null(data->c, i, j + 1)) {
                    c += N_get_array_2d_d_value(data->c, i, j + 1);
                    count++;
                }
                if (count != 0)
                    c = c / (double)count;
                /*make sure it is not NAN */
                if (c > 0 || c == 0 || c < 0)
                    N_put_array_2d_d_value(data->c_start, i, j, c);
            }
        }
    }

    return;
}

void N_calc_solute_transport_disptensor_2d(N_solute_transport_data2d * data)
{
    int i, j;

    int cols, rows;

    double vx, vy, vv;

    double disp_xx, disp_yy, disp_xy;

    N_gradient_2d grad;

    cols = data->grad->cols;
    rows = data->grad->rows;

    G_debug(2,
            "N_calc_solute_transport_disptensor_2d: calculating the dispersivity tensor");

    for (j = 0; j < rows; j++) {
        for (i = 0; i < cols; i++) {

            disp_xx = 0;
            disp_yy = 0;
            disp_xy = 0;

            /*get the gradient neighbours */
            N_get_gradient_2d(data->grad, &grad, i, j);
            vx = (grad.WC + grad.EC) / 2;
            vy = (grad.NC + grad.SC) / 2;
            vv = sqrt(vx * vx + vy * vy);

            if (vv != 0) {
                disp_xx = data->al * vx * vx / vv + data->at * vy * vy / vv;
                disp_yy = data->at * vx * vx / vv + data->al * vy * vy / vv;
                disp_xy = (data->al - data->at) * vx * vy / vv;
            }

            G_debug(5,
                    "N_calc_solute_transport_disptensor_2d: [%i][%i] disp_xx %g disp_yy %g disp_xy %g",
                    i, j, disp_xx, disp_yy, disp_xy);
            N_put_array_2d_d_value(data->disp_xx, i, j, disp_xx);
            N_put_array_2d_d_value(data->disp_yy, i, j, disp_yy);
            N_put_array_2d_d_value(data->disp_xy, i, j, disp_xy);
        }
    }

    return;
}

void N_calc_solute_transport_disptensor_3d(N_solute_transport_data3d * data)
{
    int i, j, k;

    int cols, rows, depths;

    double vx, vy, vz, vv;

    double disp_xx, disp_yy, disp_zz, disp_xy, disp_xz, disp_yz;

    N_gradient_3d grad;

    cols = data->grad->cols;
    rows = data->grad->rows;
    depths = data->grad->depths;

    G_debug(2,
            "N_calc_solute_transport_disptensor_3d: calculating the dispersivity tensor");

    for (k = 0; k < depths; k++) {
        for (j = 0; j < rows; j++) {
            for (i = 0; i < cols; i++) {
                disp_xx = 0;
                disp_yy = 0;
                disp_zz = 0;
                disp_xy = 0;
                disp_xz = 0;
                disp_yz = 0;

                /*get the gradient neighbours */
                N_get_gradient_3d(data->grad, &grad, i, j, k);
                vx = (grad.WC + grad.EC) / 2;
                vy = (grad.NC + grad.SC) / 2;
                vz = (grad.BC + grad.TC) / 2;
                vv = sqrt(vx * vx + vy * vy + vz * vz);

                if (vv != 0) {
                    disp_xx =
                        data->al * vx * vx / vv + data->at * vy * vy / vv +
                        data->at * vz * vz / vv;
                    disp_yy =
                        data->at * vx * vx / vv + data->al * vy * vy / vv +
                        data->at * vz * vz / vv;
                    disp_zz =
                        data->at * vx * vx / vv + data->at * vy * vy / vv +
                        data->al * vz * vz / vv;
                    disp_xy = (data->al - data->at) * vx * vy / vv;
                    disp_xz = (data->al - data->at) * vx * vz / vv;
                    disp_yz = (data->al - data->at) * vy * vz / vv;
                }

                G_debug(5,
                        "N_calc_solute_transport_disptensor_3d: [%i][%i][%i] disp_xx %g disp_yy %g disp_zz %g  disp_xy %g disp_xz %g disp_yz %g ",
                        i, j, k, disp_xx, disp_yy, disp_zz, disp_xy, disp_xz,
                        disp_yz);
                N_put_array_3d_d_value(data->disp_xx, i, j, k, disp_xx);
                N_put_array_3d_d_value(data->disp_yy, i, j, k, disp_yy);
                N_put_array_3d_d_value(data->disp_zz, i, j, k, disp_zz);
                N_put_array_3d_d_value(data->disp_xy, i, j, k, disp_xy);
                N_put_array_3d_d_value(data->disp_xz, i, j, k, disp_xz);
                N_put_array_3d_d_value(data->disp_yz, i, j, k, disp_yz);
            }
        }
    }

    return;
}