- added sulfat ion

This commit is contained in:
2023-06-14 13:50:03 +02:00
parent 83132ff589
commit 89e2cafd44
2 changed files with 62 additions and 48 deletions
+17 -12
View File
@@ -31,52 +31,56 @@ water_constants()
k_Ca_0_mg = 94.0; % mg/l
k_Mg_0_mg = 18.1; % mg/l
k_Na_0_mg = 3.6; % mg/l
k_S_0_mg = 44.1; % mg/l
k_Cl_0_mg = 4.6; % mg/l
k_SO4_0_mg = 44.1; % mg/l
k_HCO3_0_mmol = 5.5; % mmol/l
# Profile from tap water (Debug)
k_Ca_0_mg = 100; % mg/l
k_Mg_0_mg = 20; % mg/l
k_Na_0_mg = 5; % mg/l
k_S_0_mg = 50; % mg/l
k_Cl_0_mg = 5; % mg/l
k_SO4_0_mg = 50; % mg/l
# Target Profile
k_Ca_1_mg = 50; % mg/l
k_Mg_1_mg = 20; % mg/l
k_Mg_1_mg = 2; % mg/l
k_Na_1_mg = 40; % mg/l
k_Cl_1_mg = 100; % mg/l
k_S_1_mg = 50; % mg/l
k_SO4_1_mg = 50; % mg/l
# Tap water: Calc Stoffmenge/l [mmol/l]
n_Ca_0 = k_Ca_0_mg/sum(M_EL_Ca);
n_Mg_0 = k_Mg_0_mg/sum(M_EL_Mg);
n_Na_0 = k_Na_0_mg/sum(M_EL_Na);
n_Cl_0 = k_Cl_0_mg/sum(M_EL_Cl);
n_S_0 = k_S_0_mg/sum(M_EL_S);
n_SO4_0 = k_SO4_0_mg/sum(M_EL_SO4);
# Target: Calc Stoffmenge/l [mmol/l]
n_Ca_1 = k_Ca_1_mg/sum(M_EL_Ca);
n_Mg_1 = k_Mg_1_mg/sum(M_EL_Mg);
n_Na_1 = k_Na_1_mg/sum(M_EL_Na);
n_Cl_1 = k_Cl_1_mg/sum(M_EL_Cl);
n_S_1 = k_S_1_mg/sum(M_EL_S);
n_SO4_1 = k_SO4_1_mg/sum(M_EL_SO4);
# Initial profile
m_A0 = k_ve*create_mol([i_Ca i_Mg i_Na i_Cl i_S], [n_Ca_0 n_Mg_0 n_Na_0 n_Cl_0 n_S_0], mol_masses)
m_A0 = k_ve*create_mol([EL_Ca EL_Mg EL_Na EL_Cl EL_SO4], [n_Ca_0 n_Mg_0 n_Na_0 n_Cl_0 n_SO4_0], mol_masses);
# Target profile
m_T = create_mol([i_Ca i_Mg i_Na i_Cl i_S], [n_Ca_1 n_Mg_1 n_Na_1 n_Cl_1 n_S_1], mol_masses)
m_T = create_mol([EL_Ca EL_Mg EL_Na EL_Cl EL_SO4], [n_Ca_1 n_Mg_1 n_Na_1 n_Cl_1 n_SO4_1], mol_masses);
if TEST_SUITE == 1,
# Create molar masses of allowed substances, easy
Mp = [M_EL_Ca; M_EL_Mg; M_EL_Na; M_EL_Cl; M_EL_S];
Mp = [M_EL_Ca; M_EL_Mg; M_EL_Na; M_EL_Cl; M_EL_SO4];
end
if TEST_SUITE == 2,
# Create molar masses of allowed substances, difficult
Mp = [M_CaSO4+2*M_H2O; M_CaCl2+2*M_H2O; M_MgSO4+7*M_H2O; M_NaCl; M_HCl]
Mp = [M_CaSO4+2*M_H2O; M_CaCl2+2*M_H2O; M_MgSO4+7*M_H2O; M_NaCl; M_HCl];
Mp = [M_CaCl2+2*M_H2O; M_MgSO4+7*M_H2O; M_NaCl; M_HCl];
Mp = [M_CaCl2+2*M_H2O; M_MgSO4+7*M_H2O; M_NaCl];
Mp = [M_CaSO4+2*M_H2O; M_CaCl2+2*M_H2O; M_NaCl];
#Mp = [M_MgSO4+7*M_H2O; M_CaCl2+2*M_H2O; M_NaCl];
end
# Init vecfit vars
@@ -85,7 +89,7 @@ end
na = zeros(N_subst, 1);
# ignore oxygen
mask = create_mol([i_Ca i_Mg i_S i_Cl i_Na], [1 1 1 1 1], mol_masses) > 0;
mask = m_T > 0;
_dn = [];
CONV_COUNTER_RELOAD = 20;
@@ -108,10 +112,11 @@ while true,
end
plot(1:length(_dn), _dn); grid();
title("Distance"); xlabel("Iteration"); ylabel("Dn")
m_A1
Dn1
m_elem=sum(Mp.*na)
m_subst_add_g_per_hl = na.*sum(Mp,2)/1000*100
m_T
m_A1
endfunction