diff --git a/src/BTCSDiffusion.cpp b/src/BTCSDiffusion.cpp index 4df37a9..4f7b109 100644 --- a/src/BTCSDiffusion.cpp +++ b/src/BTCSDiffusion.cpp @@ -141,11 +141,10 @@ void Diffusion::BTCSDiffusion::simulate2D( int n_rows = this->grid_cells[1]; int n_cols = this->grid_cells[0]; double dx = this->deltas[0]; - DMatrixRowMajor t0_c; double local_dt = this->time_step / BTCS_2D_DT_SIZE; - t0_c = calc_t0_c(c, alpha, bc, local_dt, dx); + DMatrixRowMajor t0_c = calc_t0_c(c, alpha, bc, local_dt, dx); #pragma omp parallel for schedule(dynamic) for (int i = 0; i < n_rows; i++) { @@ -184,12 +183,17 @@ auto Diffusion::BTCSDiffusion::calc_t0_c(const DMatrixRowMajor &c, // first, iterate over first row for (int j = 0; j < n_cols; j++) { - y_values[0] = getBCFromFlux(bc(0, j), c(0, j), alpha(0, j)); + boundary_condition tmp_bc = bc(0,j+1); + + if (tmp_bc.type == Diffusion::BC_CLOSED) + continue; + + y_values[0] = getBCFromFlux(tmp_bc, c(0, j), alpha(0, j)); y_values[1] = c(0, j); y_values[2] = c(1, j); t0_c(0, j) = time_step * alpha(0, j) * - (y_values[0] - 2 * y_values[1] + y_values[2]) / (dx * dx); + (2*y_values[0] - 3 * y_values[1] + y_values[2]) / (dx * dx); } // then iterate over inlet @@ -210,12 +214,17 @@ auto Diffusion::BTCSDiffusion::calc_t0_c(const DMatrixRowMajor &c, // and finally over last row for (int j = 0; j < n_cols; j++) { + boundary_condition tmp_bc = bc(end+1,j+1); + + if (tmp_bc.type == Diffusion::BC_CLOSED) + continue; + y_values[0] = c(end - 1, j); y_values[1] = c(end, j); - y_values[2] = getBCFromFlux(bc(end, j), c(end, j), alpha(end, j)); + y_values[2] = getBCFromFlux(tmp_bc, c(end, j), alpha(end, j)); t0_c(end, j) = time_step * alpha(end, j) * - (y_values[0] - 2 * y_values[1] + y_values[2]) / (dx * dx); + (y_values[0] - 3 * y_values[1] + 2*y_values[2]) / (dx * dx); } return t0_c; @@ -240,7 +249,7 @@ void Diffusion::BTCSDiffusion::fillMatrixFromRow( } else { double sx = (alpha[0] * time_step) / (dx * dx); A_matrix.insert(1, 1) = -1. - 3. * sx; - A_matrix.insert(1, 0) = 2.*sx; + A_matrix.insert(1, 0) = 2. * sx; A_matrix.insert(1, 2) = sx; } @@ -263,7 +272,7 @@ void Diffusion::BTCSDiffusion::fillMatrixFromRow( double sx = (alpha[size - 1] * time_step) / (dx * dx); A_matrix.insert(A_size - 2, A_size - 2) = -1. - 3. * sx; A_matrix.insert(A_size - 2, A_size - 3) = sx; - A_matrix.insert(A_size - 2, A_size - 1) = 2.*sx; + A_matrix.insert(A_size - 2, A_size - 1) = 2. * sx; } A_matrix.insert(A_size - 1, A_size - 1) = 1; @@ -294,15 +303,14 @@ void Diffusion::BTCSDiffusion::fillVectorFromRow( b_vector[j + 1] = -c[j] - t0_c_j; } - if (!left_constant) { - // this is not correct currently.We will fix this when we are able to define - // FLUX boundary conditions - b_vector[0] = getBCFromFlux(left, c[0], alpha[0]); - } + // this is not correct currently.We will fix this when we are able to define + // FLUX boundary conditions + b_vector[0] = + (left_constant ? left.value : getBCFromFlux(left, c[0], alpha[0])); - if (!right_constant) { - b_vector[b_size - 1] = getBCFromFlux(right, c[size - 1], alpha[size - 1]); - } + b_vector[b_size - 1] = + (right_constant ? right.value + : getBCFromFlux(right, c[size - 1], alpha[size - 1])); } void Diffusion::BTCSDiffusion::setTimestep(double time_step) {