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index 245a642ac0189f6c26313777c1a8ebb4ffee4bfd..ad27efd299741987dffe5c4efd326521fc477a72 100644
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+ <g transform="translate(392.205375 41.995312) scale(0.3 -0.3)">
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diff --git a/examples/ReproducableCode/Convergence.py b/examples/ReproducableCode/Convergence.py
index 1dad96cac1f882bbbe8ee0c877000c7985a13695..a34ff90e9d0cfaa61866bd72bff9c52986f82bb4 100644
--- a/examples/ReproducableCode/Convergence.py
+++ b/examples/ReproducableCode/Convergence.py
@@ -10,7 +10,7 @@ import sys
import os
# Add the src directory to the sys.path
-src_path = os.path.join(os.path.dirname(os.path.abspath(__file__)), '..', 'src')
+src_path = os.path.join(os.path.dirname(os.path.abspath(__file__)), '../..', 'src')
sys.path.insert(0, src_path)
from Eq04 import solve_System_4eq
@@ -102,4 +102,4 @@ plt.tight_layout()
plt.show()
# Save the results
-np.savez('../Data/Convergence.npz', number_cells_vec=number_cells_vec, y_A_error_L2=y_A_error_L2, y_C_error_L2=y_C_error_L2, y_S_error_L2=y_S_error_L2, phi_error_L2=phi_error_L2, p_error_L2=p_error_L2, y_A_error_inf=y_A_error_inf, y_C_error_inf=y_C_error_inf, y_S_error_inf=y_S_error_inf, phi_error_inf=phi_error_inf, p_error_inf=p_error_inf)
\ No newline at end of file
+np.savez('../Data/Convergence.npz', number_cells_vec=number_cells_vec, y_A_error_L2=y_A_error_L2, y_C_error_L2=y_C_error_L2, y_S_error_L2=y_S_error_L2, phi_error_L2=phi_error_L2, p_error_L2=p_error_L2, y_A_error_inf=y_A_error_inf, y_C_error_inf=y_C_error_inf, y_S_error_inf=y_S_error_inf, phi_error_inf=phi_error_inf, p_error_inf=p_error_inf, y_A=y_A, y_C=y_C, y_S=y_S, phi=phi, p=p, x=x)
\ No newline at end of file
diff --git a/examples/ReproducableCode/DoubleLayerCapacity/Compressibility.py b/examples/ReproducableCode/DoubleLayerCapacity/Compressibility.py
index bf3c2f9d1953f2d1ab9068767e0f643fa71df928..9462f797872cc18b140b530ee2c834db3007069e 100644
--- a/examples/ReproducableCode/DoubleLayerCapacity/Compressibility.py
+++ b/examples/ReproducableCode/DoubleLayerCapacity/Compressibility.py
@@ -45,12 +45,13 @@ Molarity = 0.01
y_R = Molarity / nR_mol
z_A, z_C = -1.0, 1.0
-K_vec = ['incompressible', 100_000, 50_000, 20_000]
+# K_vec = ['incompressible', 100_000, 50_000, 20_000] #15_000, 5_000, 1_500, 500]
+K_vec = ['incompressible', 15_000, 1_500, 500]
Lambda2 = (k*T*epsilon0*(1+chi))/(e0**2 * nR_m * (LR)**2)
a2 = (pR)/(nR_m * k * T)
# Solver settings
-number_cells = 1024
+number_cells = 1024*4
p_right = 0
phi_right = 0
rtol = 1e-4 # ! Change back to 1e-8
@@ -58,9 +59,12 @@ rtol = 1e-4 # ! Change back to 1e-8
# phi^L domain
Volt_start = 0
Volt_end = 0.75
-n_Volts = 7 # ! Change back to 101
+# Volt_start = -1.0
+# Volt_end = 1.0
+n_Volts = 25 # ! Change back to 101
-phi_left_dimless = np.linspace(Volt_start, Volt_end, n_Volts) * e0/(k*T)
+Phi_Pot_Diff_dim = np.linspace(Volt_start, Volt_end, n_Volts)
+Phi_Pot_Diff_dimless = Phi_Pot_Diff_dim * e0/(k*T)
y_A, y_C, y_S, phi, p, x, n_sol = [], [], [], [], [], [], []
for index, K_ in enumerate(K_vec):
@@ -68,7 +72,7 @@ for index, K_ in enumerate(K_vec):
print('K: ', str(K_))
print('-------------------------------------------------------------------')
phi_inner, y_A_inner, y_C_inner, y_S_inner, p_inner,x_inner, n_inner = [], [], [], [], [], [], []
- for i, phi_bcs in enumerate(phi_left_dimless):
+ for i, phi_bcs in enumerate(Phi_Pot_Diff_dimless):
print('-------------------------------------------------------------------')
print('K: ', str(K_))
print('phi_bcs: ', phi_bcs)
@@ -93,32 +97,32 @@ for index, K_ in enumerate(K_vec):
p.append(p_inner)
x.append(x_inner)
n_sol.append(n_inner)
-phi_left_dim = phi_left_dimless * (k*T)/e0
# Charge
-Q = []
+Q_DL_dimless_ = []
for i in range(len(K_vec)):
Q_inner = []
- for j in range(len(phi_left_dimless)):
+ for j in range(len(Phi_Pot_Diff_dimless)):
# ToDo: nR_m -> n
Q_inner.append(Q_num_(y_A[i][j], y_C[i][j], n_sol[i][j], x[i][j]))
- Q.append(Q_inner)
-Q = np.array(Q)
+ Q_DL_dimless_.append(Q_inner)
+Q_DL_dimless_ = np.array(Q_DL_dimless_)
+Q_DL_dim_ = Q_DL_dimless_ * nR_m * e0 * LR * 1e+6 * 1/(1e+4) # [µF/cm³]
# Double layer capacity
-dx_ = phi_left_dimless[1] - phi_left_dimless[0] # [1/V], uniformly distributed
-C_DL = (Q[:,1:] - Q[:,:-1])/dx_ # [µAs/cm³] # ? Right unit?
-C_DL = np.array(C_DL)
-phi_left_center = (phi_left_dimless[1:] + phi_left_dimless[:-1])/2 # Center points for plotting C_DL
+C_DL_dim = [C_dl(q_dl, Phi_Pot_Diff_dim) for q_dl in Q_DL_dim_]
+C_DL_dimless = [C_dl(q_dl, Phi_Pot_Diff_dimless) for q_dl in Q_DL_dimless_]
+Phi_pot_center_array_dimless = Phi_pot_center(Phi_Pot_Diff_dimless)
+Phi_pot_center_array_dim = Phi_pot_center(Phi_Pot_Diff_dim)
# Visualizations
# Charge
plt.figure()
-[plt.plot(phi_left_dimless, Q[i], label=f'K = {K_vec[i]}') for i in range(len(K_vec))]
+[plt.plot(Phi_Pot_Diff_dimless, Q_DL_dimless_[i], label=f'K = {K_vec[i]}') for i in range(len(K_vec))]
plt.grid()
plt.legend()
plt.xlabel('$\delta \\varphi$ [-]')
@@ -128,7 +132,7 @@ plt.show()
# Double layer capacity
plt.figure()
-[plt.plot(phi_left_center, C_DL[i], label=f'K = {K_vec[i]}') for i in range(len(K_vec))]
+[plt.plot(Phi_pot_center_array_dimless, C_DL_dimless[i], label=f'K = {K_vec[i]}') for i in range(len(K_vec))]
plt.grid()
plt.legend()
plt.xlabel('$\delta \\varphi$ [-]')
@@ -143,9 +147,9 @@ colors = ['tab:blue', 'tab:orange', 'tab:green', 'tab:red', 'tab:purple']
plt.figure()
for i in range(len(K_vec)):
clr = colors[i]
- plt.plot(phi_left_dimless, y_A_np[i,:,0], '--', color=clr)
- plt.plot(phi_left_dimless, y_C_np[i,:,0], '-', color=clr)
- plt.plot(phi_left_dimless, y_S_np[i,:,0], ':', color=clr)
+ plt.plot(Phi_Pot_Diff_dimless, y_A_np[i,:,0], '--', color=clr)
+ plt.plot(Phi_Pot_Diff_dimless, y_C_np[i,:,0], '-', color=clr)
+ plt.plot(Phi_Pot_Diff_dimless, y_S_np[i,:,0], ':', color=clr)
dummy, = plt.plot(0, 0, color='grey', linestyle='--', label='$y_A$')
dummy, = plt.plot(0, 0, color='grey', linestyle='-', label='$y_C$')
dummy, = plt.plot(0, 0, color='grey', linestyle=':', label='$y_S$')
@@ -164,9 +168,9 @@ plt.figure()
clr = colors[0]
for i in range(len(K_vec)):
clr = colors[i]
- plt.plot(phi_left_dimless, n_A_np[i,:,0], '--', color=clr)
- plt.plot(phi_left_dimless, n_C_np[i,:,0], '-', color=clr)
- plt.plot(phi_left_dimless, n_S_np[i,:,0], ':', color=clr)
+ plt.plot(Phi_Pot_Diff_dimless, n_A_np[i,:,0], '--', color=clr)
+ plt.plot(Phi_Pot_Diff_dimless, n_C_np[i,:,0], '-', color=clr)
+ plt.plot(Phi_Pot_Diff_dimless, n_S_np[i,:,0], ':', color=clr)
dummy, = plt.plot(0, 0, color='grey', linestyle='--', label='$n_A$')
dummy, = plt.plot(0, 0, color='grey', linestyle='-', label='$n_C$')
dummy, = plt.plot(0, 0, color='grey', linestyle=':', label='$n_S$')
@@ -180,6 +184,5 @@ plt.tight_layout()
plt.show()
-
# Store data
-np.savez('../../Data/DoubleLayerCapacity/Compressibility.npz', Lambda2=Lambda2, a2=a2, K_vec=K_vec, kappa=kappa, Molarity=Molarity, y_R=y_R, z_A=z_A, z_C=z_C, number_cells=number_cells, p_right=p_right, phi_right=phi_right, rtol=rtol, Volt_start=Volt_start, Volt_end=Volt_end, n_Volts=n_Volts, phi_left_dim=phi_left_dim, phi_left_dimless=phi_left_dimless, y_A=y_A, y_C=y_C, y_S=y_S, phi=phi, p=p, x=x, n_sol=n_sol, Q=Q, C_DL=C_DL, phi_left_center=phi_left_center, y_A_np=y_A_np, y_C_np=y_C_np, y_S_np=y_S_np, n_sol_np=n_sol_np, n_A_np=n_A_np, n_C_np=n_C_np, n_S_np=n_S_np)
+np.savez('../../Data/DoubleLayerCapacity/DLKap_Compressibility.npz', Lambda2=Lambda2, a2=a2, K_vec=K_vec, kappa=kappa, Molarity=Molarity, y_R=y_R, z_A=z_A, z_C=z_C, number_cells=number_cells, p_right=p_right, phi_right=phi_right, rtol=rtol, Volt_start=Volt_start, Volt_end=Volt_end, n_Volts=n_Volts, Phi_Pot_Diff_dimless=Phi_Pot_Diff_dimless, Phi_Pot_Diff_dim=Phi_Pot_Diff_dim, Phi_pot_center_array_dim=Phi_pot_center_array_dim, Phi_pot_center_array_dimless=Phi_pot_center_array_dimless, y_A=y_A, y_C=y_C, y_S=y_S, phi=phi, p=p, x=x, n_sol=n_sol, Q_DL_dimless_=Q_DL_dimless_, Q_DL_dim_ =Q_DL_dim_, C_DL_dimless=C_DL_dimless, C_DL_dim=C_DL_dim, y_A_np=y_A_np, y_C_np=y_C_np, y_S_np=y_S_np, n_sol_np=n_sol_np, n_A_np=n_A_np, n_C_np=n_C_np, n_S_np=n_S_np)
diff --git a/examples/ReproducableCode/NConstituentsMixture/CheckCorrectness.py b/examples/ReproducableCode/NConstituentsMixture/CheckCorrectness.py
new file mode 100644
index 0000000000000000000000000000000000000000..e9de1a1df4a1d4a536b10d64d7e96dba1fa0b576
--- /dev/null
+++ b/examples/ReproducableCode/NConstituentsMixture/CheckCorrectness.py
@@ -0,0 +1,80 @@
+'''
+Jan Habscheid
+Jan.Habscheid@rwth-aachen.de
+
+This script is used to validate the implementation of the generic function to solve an electrolyte of N-constituents with the implementation for a ternary electrolyte
+'''
+
+# import the src file needed to solve the system of equations
+import sys
+import os
+
+# Add the src directory to the sys.path
+src_path = os.path.join(os.path.dirname(os.path.abspath(__file__)), '../../..', 'src')
+sys.path.insert(0, src_path)
+
+from Eq04 import solve_System_4eq
+from EqN import solve_System_Neq
+
+# Remove the src directory from sys.path after import
+del sys.path[0]
+
+# Further imports
+import matplotlib.pyplot as plt
+
+# Define the parameters and boundary conditions
+phi_left = 8.0
+phi_right = 0.0
+p_right = 0.0
+y_R = [1/5, 1/3-1/5, 1/5, 1/3-1/5, 1/6]
+y_A_R, y_C_R = 1/3, 1/3
+z_alpha = [-1.0, -1.0, 1.0, 1.0, 0.0]
+z_A, z_C = -1.0, 1.0
+Lambda2 = 8.553e-6
+a2 = 7.5412e-4
+K = 'incompressible'
+number_cells = 1024
+refinement_style = 'hard_log'
+rtol = 1e-8
+
+y_A_4, y_C_4, phi_4, p_4, x_4 = solve_System_4eq(phi_left, phi_right, p_right, z_A, z_C, y_A_R, y_C_R, K, Lambda2, a2, number_cells, return_type='Vector', refinement_style=refinement_style, rtol=rtol)
+
+y_alpha_n, phi_n, p_n, x_n = solve_System_Neq(phi_left, phi_right, p_right, z_alpha, y_R, K, Lambda2, a2, number_cells, return_type='Vector', refinement_style=refinement_style, rtol=rtol)
+
+plt.figure()
+# plt.plot(x_n, phi_n, label='n-constituent')
+# plt.plot(x_4, phi_4, label='2-constituent')
+plt.plot(x_n, phi_n - phi_4, label='Difference')
+plt.grid()
+plt.legend()
+plt.xlabel('x [-]')
+plt.ylabel('$\\varphi$ [-]')
+plt.show()
+
+plt.figure()
+# plt.plot(x_n, p_n, label='n-constituent')
+# plt.plot(x_4, p_4, label='2-constituent')
+plt.plot(x_n, p_n - p_4, label='Difference')
+plt.grid()
+plt.legend()
+plt.xlabel('x [-]')
+plt.ylabel('$p$ [-]')
+plt.show()
+
+plt.figure()
+# for i in range(len(z_alpha)):
+# plt.plot(x_n, y_alpha_n[i], label=f'$y_{i}$')
+# plt.plot(x_n, y_alpha_n[0] + y_alpha_n[1], label='$y_{A,n}$')
+# plt.plot(x_n, y_alpha_n[2] + y_alpha_n[3], label='$y_{C,n}$')
+# plt.plot(x_n, 1-y_alpha_n[0]-y_alpha_n[1]-y_alpha_n[2]-y_alpha_n[3], label='$y_{S,n}$')
+# plt.plot(x_4, y_A_4, label='$y_{A,2}$')
+# plt.plot(x_4, y_C_4, label='$y_{C,2}$')
+# plt.plot(x_4, 1-y_A_4-y_C_4, label='$y_{S,2}$')
+plt.plot(x_n, y_alpha_n[0] + y_alpha_n[1] - y_A_4, label='Difference $y_{A}$')
+plt.plot(x_n, y_alpha_n[2] + y_alpha_n[3] - y_C_4, label='Difference $y_{C}$')
+plt.plot(x_n, 1-y_alpha_n[0]-y_alpha_n[1]-y_alpha_n[2]-y_alpha_n[3] - (1-y_A_4-y_C_4), label='Difference $y_{S}$')
+plt.legend()
+plt.grid()
+plt.xlabel('x [-]')
+plt.ylabel('$y_\\alpha$ [-]')
+plt.show()
diff --git a/examples/ReproducableCode/NConstituentsMixture/Mixture_4_1.py b/examples/ReproducableCode/NConstituentsMixture/Mixture_4_1.py
new file mode 100644
index 0000000000000000000000000000000000000000..97a5d66fda77f77186d5b82a298a6577793159a0
--- /dev/null
+++ b/examples/ReproducableCode/NConstituentsMixture/Mixture_4_1.py
@@ -0,0 +1,71 @@
+'''
+Jan Habscheid
+Jan.Habscheid@rwth-aachen.de
+
+This script simulates mixture 4_1 from the thesis
+'''
+
+# import the src file needed to solve the system of equations
+import sys
+import os
+
+# Add the src directory to the sys.path
+src_path = os.path.join(os.path.dirname(os.path.abspath(__file__)), '../../..', 'src')
+sys.path.insert(0, src_path)
+
+from EqN import solve_System_Neq
+
+# Remove the src directory from sys.path after import
+del sys.path[0]
+
+# Further imports
+import matplotlib.pyplot as plt
+import numpy as np
+
+# Define Parameter and solver settings
+phi_left = 8.0
+phi_right = 0.0
+p_right = 0.0
+y_alpha_R = [3/6, 1/6, 1/6]
+z_alpha = [-1.0, 1.0, 2.0]
+K = 'incompressible'
+Lambda2 = 8.553e-6
+a2 = 7.5412e-4
+number_cells = 1024*4
+refinement_style = 'hard_log'
+rtol = 1e-8
+return_type = 'Vector'
+relax_param = 0.05
+max_iter = 2_500
+
+y_alpha_n, phi_n, p_n, x_n = solve_System_Neq(phi_left, phi_right, p_right, z_alpha, y_alpha_R, K, Lambda2, a2, number_cells, return_type=return_type, relax_param=relax_param, max_iter=max_iter, rtol=rtol, refinement_style=refinement_style)
+
+np.savez('../../Data/NConstituentsMixture/Mixture_4_1.npz', x=x_n, phi=phi_n, p=p_n, y_alpha=y_alpha_n, z_alpha=z_alpha, y_alpha_R=y_alpha_R, phi_left=phi_left, phi_right=phi_right, p_right=p_right, K=K, Lambda2=Lambda2, a2=a2, number_cells=number_cells)
+
+plt.figure()
+plt.plot(x_n, phi_n)
+plt.xlim(0,0.05)
+plt.grid()
+plt.xlabel('$x$ [-]')
+plt.ylabel('$\\varphi$ [-]')
+plt.show()
+
+plt.figure
+plt.plot(x_n, p_n)
+plt.xlim(0,0.05)
+plt.grid()
+plt.xlabel('$x$ [-]')
+plt.ylabel('$p$ [-]')
+plt.show()
+
+plt.figure()
+for i in range(len(z_alpha)):
+ plt.plot(x_n, y_alpha_n[i], label=f'z = {z_alpha[i]}')
+y_S = 1.0 - y_alpha_n[0] - y_alpha_n[1] - y_alpha_n[2]
+plt.plot(x_n, y_S, label=f'z = 0')
+plt.legend()
+plt.grid()
+plt.xlim(0,0.05)
+plt.xlabel('x [-]')
+plt.ylabel('$y_\\alpha$ [-]')
+plt.show()
diff --git a/examples/ReproducableCode/NConstituentsMixture/Mixture_4_2.py b/examples/ReproducableCode/NConstituentsMixture/Mixture_4_2.py
new file mode 100644
index 0000000000000000000000000000000000000000..d18139e0acdf7dd4ba3e48221acee8daab25e9c9
--- /dev/null
+++ b/examples/ReproducableCode/NConstituentsMixture/Mixture_4_2.py
@@ -0,0 +1,71 @@
+'''
+Jan Habscheid
+Jan.Habscheid@rwth-aachen.de
+
+This script simulates mixture 4_2 from the thesis
+'''
+
+# import the src file needed to solve the system of equations
+import sys
+import os
+
+# Add the src directory to the sys.path
+src_path = os.path.join(os.path.dirname(os.path.abspath(__file__)), '../../..', 'src')
+sys.path.insert(0, src_path)
+
+from EqN import solve_System_Neq
+
+# Remove the src directory from sys.path after import
+del sys.path[0]
+
+# Further imports
+import matplotlib.pyplot as plt
+import numpy as np
+
+# Define Parameter and solver settings
+phi_left = 8.0
+phi_right = 0.0
+p_right = 0.0
+y_alpha_R = [1/6, 1/6, 3/6]
+z_alpha = [-2.0, -1.0, 1.0]
+K = 'incompressible'
+Lambda2 = 8.553e-6
+a2 = 7.5412e-4
+number_cells = 1024*4
+refinement_style = 'hard_log'
+rtol = 1e-8
+return_type = 'Vector'
+relax_param = 0.05
+max_iter = 2_500
+
+y_alpha_n, phi_n, p_n, x_n = solve_System_Neq(phi_left, phi_right, p_right, z_alpha, y_alpha_R, K, Lambda2, a2, number_cells, return_type=return_type, relax_param=relax_param, max_iter=max_iter, rtol=rtol, refinement_style=refinement_style)
+
+np.savez('../../Data/NConstituentsMixture/Mixture_4_2.npz', x=x_n, phi=phi_n, p=p_n, y_alpha=y_alpha_n, z_alpha=z_alpha, y_alpha_R=y_alpha_R, phi_left=phi_left, phi_right=phi_right, p_right=p_right, K=K, Lambda2=Lambda2, a2=a2, number_cells=number_cells)
+
+plt.figure()
+plt.plot(x_n, phi_n)
+plt.xlim(0,0.05)
+plt.grid()
+plt.xlabel('$x$ [-]')
+plt.ylabel('$\\varphi$ [-]')
+plt.show()
+
+plt.figure
+plt.plot(x_n, p_n)
+plt.xlim(0,0.05)
+plt.grid()
+plt.xlabel('$x$ [-]')
+plt.ylabel('$p$ [-]')
+plt.show()
+
+plt.figure()
+for i in range(len(z_alpha)):
+ plt.plot(x_n, y_alpha_n[i], label=f'z = {z_alpha[i]}')
+y_S = 1.0 - y_alpha_n[0] - y_alpha_n[1] - y_alpha_n[2]
+plt.plot(x_n, y_S, label=f'z = 0')
+plt.legend()
+plt.grid()
+plt.xlim(0,0.05)
+plt.xlabel('x [-]')
+plt.ylabel('$y_\\alpha$ [-]')
+plt.show()
diff --git a/examples/ReproducableCode/NConstituentsMixture/Mixture_5.py b/examples/ReproducableCode/NConstituentsMixture/Mixture_5.py
new file mode 100644
index 0000000000000000000000000000000000000000..242e6e5a49d92e2a5316914f5a5131bd334c5df8
--- /dev/null
+++ b/examples/ReproducableCode/NConstituentsMixture/Mixture_5.py
@@ -0,0 +1,71 @@
+'''
+Jan Habscheid
+Jan.Habscheid@rwth-aachen.de
+
+This script simulates mixture 5 from the thesis
+'''
+
+# import the src file needed to solve the system of equations
+import sys
+import os
+
+# Add the src directory to the sys.path
+src_path = os.path.join(os.path.dirname(os.path.abspath(__file__)), '../../..', 'src')
+sys.path.insert(0, src_path)
+
+from EqN import solve_System_Neq
+
+# Remove the src directory from sys.path after import
+del sys.path[0]
+
+# Further imports
+import matplotlib.pyplot as plt
+import numpy as np
+
+# Define Parameter and solver settings
+phi_left = 8.0
+phi_right = 0.0
+p_right = 0.0
+y_alpha_R = [1/5, 1/5, 1/5, 1/5]
+z_alpha = [-2.0, -1.0, 1.0, 2.0]
+K = 'incompressible'
+Lambda2 = 8.553e-6
+a2 = 7.5412e-4
+number_cells = 1024*4
+refinement_style = 'hard_log'
+rtol = 1e-8
+relax_param = 0.01
+max_iter = 10_000
+return_type = 'Vector'
+
+y_alpha_n, phi_n, p_n, x_n = solve_System_Neq(phi_left, phi_right, p_right, z_alpha, y_alpha_R, K, Lambda2, a2, number_cells, return_type=return_type , relax_param=relax_param, max_iter=max_iter, rtol=rtol, refinement_style=refinement_style)
+
+np.savez('../../Data/NConstituentsMixture/Mixture_5.npz', x=x_n, phi=phi_n, p=p_n, y_alpha=y_alpha_n, z_alpha=z_alpha, y_alpha_R=y_alpha_R, phi_left=phi_left, phi_right=phi_right, p_right=p_right, K=K, Lambda2=Lambda2, a2=a2, number_cells=number_cells)
+
+plt.figure()
+plt.plot(x_n, phi_n)
+plt.xlim(0,0.05)
+plt.grid()
+plt.xlabel('$x$ [-]')
+plt.ylabel('$\\varphi$ [-]')
+plt.show()
+
+plt.figure
+plt.plot(x_n, p_n)
+plt.xlim(0,0.05)
+plt.grid()
+plt.xlabel('$x$ [-]')
+plt.ylabel('$p$ [-]')
+plt.show()
+
+plt.figure()
+for i in range(len(z_alpha)):
+ plt.plot(x_n, y_alpha_n[i], label=f'z = {z_alpha[i]}')
+y_S = 1.0 - y_alpha_n[0] - y_alpha_n[1] - y_alpha_n[2]
+plt.plot(x_n, y_S, label=f'z = 0')
+plt.legend()
+plt.grid()
+plt.xlim(0,0.05)
+plt.xlabel('x [-]')
+plt.ylabel('$y_\\alpha$ [-]')
+plt.show()
diff --git a/examples/ReproducableCode/NConstituentsMixture/Mixture_6.py b/examples/ReproducableCode/NConstituentsMixture/Mixture_6.py
new file mode 100644
index 0000000000000000000000000000000000000000..d67822dbe0a10f29dcc054e1f7ac74a87ec979cb
--- /dev/null
+++ b/examples/ReproducableCode/NConstituentsMixture/Mixture_6.py
@@ -0,0 +1,71 @@
+'''
+Jan Habscheid
+Jan.Habscheid@rwth-aachen.de
+
+This script simulates mixture 6 from the thesis
+'''
+
+# import the src file needed to solve the system of equations
+import sys
+import os
+
+# Add the src directory to the sys.path
+src_path = os.path.join(os.path.dirname(os.path.abspath(__file__)), '../../..', 'src')
+sys.path.insert(0, src_path)
+
+from EqN import solve_System_Neq
+
+# Remove the src directory from sys.path after import
+del sys.path[0]
+
+# Further imports
+import matplotlib.pyplot as plt
+import numpy as np
+
+# Define Parameter and solver settings
+phi_left = 8.0
+phi_right = 0.0
+p_right = 0.0
+y_alpha_R = [1/23, 1/23, 1/23, 1/23, 10/23]
+z_alpha = [-4.0, -3.0, -2.0, -1.0, 1.0]
+K = 'incompressible'
+Lambda2 = 8.553e-6
+a2 = 7.5412e-4
+number_cells = 1024*4
+refinement_style = 'hard_log'
+rtol = 1e-8
+relax_param = 0.01
+max_iter = 10_000
+return_type = 'Vector'
+
+y_alpha_n, phi_n, p_n, x_n = solve_System_Neq(phi_left, phi_right, p_right, z_alpha, y_alpha_R, K, Lambda2, a2, number_cells, return_type=return_type , relax_param=relax_param, max_iter=max_iter, rtol=rtol, refinement_style=refinement_style)
+
+np.savez('../../Data/NConstituentsMixture/Mixture_6.npz', x=x_n, phi=phi_n, p=p_n, y_alpha=y_alpha_n, z_alpha=z_alpha, y_alpha_R=y_alpha_R, phi_left=phi_left, phi_right=phi_right, p_right=p_right, K=K, Lambda2=Lambda2, a2=a2, number_cells=number_cells)
+
+plt.figure()
+plt.plot(x_n, phi_n)
+plt.xlim(0,0.05)
+plt.grid()
+plt.xlabel('$x$ [-]')
+plt.ylabel('$\\varphi$ [-]')
+plt.show()
+
+plt.figure
+plt.plot(x_n, p_n)
+plt.xlim(0,0.05)
+plt.grid()
+plt.xlabel('$x$ [-]')
+plt.ylabel('$p$ [-]')
+plt.show()
+
+plt.figure()
+for i in range(len(z_alpha)):
+ plt.plot(x_n, y_alpha_n[i], label=f'z = {z_alpha[i]}')
+y_S = 1.0 - y_alpha_n[0] - y_alpha_n[1] - y_alpha_n[2]
+plt.plot(x_n, y_S, label=f'z = 0')
+plt.legend()
+plt.grid()
+plt.xlim(0,0.05)
+plt.xlabel('x [-]')
+plt.ylabel('$y_\\alpha$ [-]')
+plt.show()
diff --git a/examples/Visualizations/DoubleLayerCapacity.py/VisCompressibility.py b/examples/Visualizations/DoubleLayerCapacity.py/VisCompressibility.py
index 7a99e021a7ffa8fdb89de239fc3588f51b66ca38..310270cb301c76e58341d84c25c4a637a05f2e58 100644
--- a/examples/Visualizations/DoubleLayerCapacity.py/VisCompressibility.py
+++ b/examples/Visualizations/DoubleLayerCapacity.py/VisCompressibility.py
@@ -12,61 +12,134 @@ import numpy as np
# Molarity
# Load data
-data = np.load('../../Data/DoubleLayerCapacity/Compressibility.npz')
+data = np.load('../../Data/DoubleLayerCapacity/DLKap_Compressibility.npz')
-Q = data['Q']
-C_DL = data['C_DL']
+Q_DL_dimless_ = data['Q_DL_dimless_']
+Q_DL_dim_ = data['Q_DL_dim_']
+C_DL_dim = data['C_DL_dim']
+C_DL_dimless = data['C_DL_dimless']
y_A = data['y_A']
y_C = data['y_C']
y_S = data['y_S']
-phi_left = data['phi_left']
-phi_left_center = data['phi_left_center']
+Phi_Pot_Diff_dim = data['Phi_Pot_Diff_dim']
+Phi_Pot_Diff_dimless = data['Phi_Pot_Diff_dimless']
+Phi_pot_center_array_dim = data['Phi_pot_center_array_dim']
+Phi_pot_center_array_dimless = data['Phi_pot_center_array_dimless']
n_sol = data['n_sol']
K_vec = data['K_vec']
+
+# Plotting
# Charge
-plt.figure()
-[plt.plot(phi_left, Q[i], label=f'K = {K_vec[i]}') for i in range(len(K_vec))]
-plt.grid()
-plt.legend()
-plt.xlabel('$\delta \\varphi$ [-]')
-plt.ylabel('Q $[-]$')
-plt.tight_layout()
-plt.show()
-
-# Double layer capacity
-plt.figure()
-[plt.plot(phi_left_center, C_DL[i], label=f'K = {K_vec[i]}') for i in range(len(K_vec))]
-plt.grid()
-plt.legend()
-plt.xlabel('$\delta \\varphi$ [-]')
-plt.ylabel('$C_{dl} [-]$')
-plt.tight_layout()
-plt.show()
-
-# y_alpha_L
-y_A_np, y_C_np, y_S_np = np.array(y_A), np.array(y_C), np.array(y_S)
-markers = ['--', '-', ':']
+fig = plt.figure()
colors = ['tab:blue', 'tab:orange', 'tab:green', 'tab:red', 'tab:purple']
+color_dimless = 'tab:purple'
+color_dim = 'tab:red'
+ax = fig.add_subplot(111, label="1")
+ax2 = fig.add_subplot(111, label="2", frame_on=False)
+
+# Plot dimensional data
+for i, q_dl in enumerate(Q_DL_dim_):
+ ax.plot(Phi_Pot_Diff_dim, q_dl, color=colors[i], label=f'K: {K_vec[i]}')
+ax.grid()
+ax.set_xlabel('$\delta \\varphi [nm]$', color=color_dim)
+ax.set_ylabel('$Q$ [\u03bc$F/cm^3]$', color=color_dim)
+ax.tick_params(axis='x', colors=color_dim)
+ax.tick_params(axis='y', colors=color_dim)
+
+for i, q_dl in enumerate(Q_DL_dimless_):
+ ax2.plot(Phi_Pot_Diff_dimless, q_dl, color=colors[i])
+ax2.xaxis.tick_top()
+ax2.yaxis.tick_right()
+ax2.set_xlabel('$\delta \\varphi [-]$', color=color_dimless)
+ax2.set_ylabel('$Q [-]$', color=color_dimless)
+ax2.xaxis.set_label_position('top')
+ax2.yaxis.set_label_position('right')
+ax2.tick_params(axis='x', colors=color_dimless)
+ax2.tick_params(axis='y', colors=color_dimless)
+
+fig.legend()
+fig.tight_layout()
+fig.savefig('../../Figures/DoubleLayerCapacity/Compressibility_Charge.svg')
+fig.show()
+
+
+# Double Layer Capacity
+fig = plt.figure()
+color_dimless = 'tab:purple'
+color_dim = 'tab:red'
+ax = fig.add_subplot(111, label="1")
+ax2 = fig.add_subplot(111, label="2", frame_on=False)
+
+# Plot dimensional data
+for i, c_dl in enumerate(C_DL_dim):
+ ax.plot(Phi_pot_center_array_dim, c_dl, color=colors[i], label=f'K: {K_vec[i]}')
+ax.grid()
+ax.set_xlabel('$\delta \\varphi [nm]$', color=color_dim)
+ax.set_ylabel('$C_{dl}$ [\u03bc$F/cm^2]$', color=color_dim)
+ax.tick_params(axis='x', colors=color_dim)
+ax.tick_params(axis='y', colors=color_dim)
+
+for i, c_dl in enumerate(C_DL_dimless):
+ ax2.plot(Phi_pot_center_array_dimless, c_dl, color=colors[i])
+# ax2.grid()
+ax2.xaxis.tick_top()
+ax2.yaxis.tick_right()
+ax2.set_xlabel('$\delta \\varphi [-]$', color=color_dimless)
+ax2.set_ylabel('$Q [-]$', color=color_dimless)
+ax2.xaxis.set_label_position('top')
+ax2.yaxis.set_label_position('right')
+ax2.tick_params(axis='x', colors=color_dimless)
+ax2.tick_params(axis='y', colors=color_dimless)
+
+fig.legend()
+fig.tight_layout()
+fig.savefig('../../Figures/DoubleLayerCapacity/Compressibility_Capacity.svg')
+fig.show()
+
+# # Charge
+# plt.figure()
+# [plt.plot(phi_left, Q[i], label=f'K = {K_vec[i]}') for i in range(len(K_vec))]
+# plt.grid()
+# plt.legend()
+# plt.xlabel('$\delta \\varphi$ [-]')
+# plt.ylabel('Q $[-]$')
+# plt.tight_layout()
+# plt.show()
+
+# # Double layer capacity
+# plt.figure()
+# [plt.plot(phi_left_center, C_DL[i], label=f'K = {K_vec[i]}') for i in range(len(K_vec))]
+# plt.grid()
+# plt.legend()
+# plt.xlabel('$\delta \\varphi$ [-]')
+# plt.ylabel('$C_{dl} [-]$')
+# plt.tight_layout()
+# plt.show()
+
+# # y_alpha_L
+# y_A_np, y_C_np, y_S_np = np.array(y_A), np.array(y_C), np.array(y_S)
+# markers = ['--', '-', ':']
+# colors = ['tab:blue', 'tab:orange', 'tab:green', 'tab:red', 'tab:purple']
-n_sol_np = np.array(n_sol)
-n_A_np, n_C_np, n_S_np = y_A_np * n_sol_np, y_C_np * n_sol_np, y_S_np * n_sol_np
-plt.figure()
-clr = colors[0]
-for i in range(len(K_vec)):
- clr = colors[i]
- plt.plot(phi_left, n_A_np[i,:,0], '--', color=clr)
- plt.plot(phi_left, n_C_np[i,:,0], '-', color=clr)
- plt.plot(phi_left, n_S_np[i,:,0], ':', color=clr)
-dummy, = plt.plot(0, 0, color='grey', linestyle='--', label='$n_A$')
-dummy, = plt.plot(0, 0, color='grey', linestyle='-', label='$n_C$')
-dummy, = plt.plot(0, 0, color='grey', linestyle=':', label='$n_S$')
-for index, K_ in enumerate(K_vec):
- dummy, = plt.plot(0, 0, color=colors[index], linestyle='-', label=f'K = {K_}')
-plt.grid()
-plt.legend()
-plt.xlabel('$\delta \\varphi$ [-]')
-plt.ylabel('$n_\\alpha^L [-]$')
-plt.tight_layout()
-plt.show()
\ No newline at end of file
+# n_sol_np = np.array(n_sol)
+# n_A_np, n_C_np, n_S_np = y_A_np * n_sol_np, y_C_np * n_sol_np, y_S_np * n_sol_np
+# plt.figure()
+# clr = colors[0]
+# for i in range(len(K_vec)):
+# clr = colors[i]
+# plt.plot(phi_left, n_A_np[i,:,0], '--', color=clr)
+# plt.plot(phi_left, n_C_np[i,:,0], '-', color=clr)
+# plt.plot(phi_left, n_S_np[i,:,0], ':', color=clr)
+# dummy, = plt.plot(0, 0, color='grey', linestyle='--', label='$n_A$')
+# dummy, = plt.plot(0, 0, color='grey', linestyle='-', label='$n_C$')
+# dummy, = plt.plot(0, 0, color='grey', linestyle=':', label='$n_S$')
+# for index, K_ in enumerate(K_vec):
+# dummy, = plt.plot(0, 0, color=colors[index], linestyle='-', label=f'K = {K_}')
+# plt.grid()
+# plt.legend()
+# plt.xlabel('$\delta \\varphi$ [-]')
+# plt.ylabel('$n_\\alpha^L [-]$')
+# plt.tight_layout()
+# plt.show()
\ No newline at end of file
diff --git a/examples/Visualizations/ParameterAnalysis/VisFractionsHeightLeft.py b/examples/Visualizations/ParameterAnalysis/VisFractionsHeightLeft.py
index 3ff969a341c11228d55fa8579befd3b42e2e2474..cc643d7b2d9e1a985c167b01c63ab0a9fc0e5fad 100644
--- a/examples/Visualizations/ParameterAnalysis/VisFractionsHeightLeft.py
+++ b/examples/Visualizations/ParameterAnalysis/VisFractionsHeightLeft.py
@@ -26,7 +26,7 @@ axs.plot(phi_left_vec, y_C_np[:,0], label='$y_C$', lw=lw)
axs.plot(phi_left_vec, y_S_np[:,0], label='$y_S$', lw=lw)
axs.grid()
axs.set_xlabel('$\delta \\varphi$ [-]', fontsize=labelsize)
-axs.set_ylabel('$y_\\alpha$ [-]', fontsize=labelsize)
+axs.set_ylabel('$y_\\alpha^L$ [-]', fontsize=labelsize)
axs.tick_params(axis='both', labelsize=labelsize)
lines_labels = [ax.get_legend_handles_labels() for ax in fig.axes]
diff --git a/examples/Visualizations/VisConvergence.py b/examples/Visualizations/VisConvergence.py
index b59906d557786cf4bb1991e62fdb5b02d3f0359a..35b630cf1bb2ff068eb06538518ba5497ae1ba29 100644
--- a/examples/Visualizations/VisConvergence.py
+++ b/examples/Visualizations/VisConvergence.py
@@ -5,7 +5,54 @@ Jan.Habscheid@rwth-aachen.de
import matplotlib.pyplot as plt
import numpy as np
-
+from scipy.interpolate import interp1d
# Load data
data = np.load('../Data/Convergence.npz')
+
+# Extract data
+number_cells_vec = data['number_cells_vec']
+y_A_error_L2 = data['y_A_error_L2']
+y_C_error_L2 = data['y_C_error_L2']
+y_S_error_L2 = data['y_S_error_L2']
+phi_error_L2 = data['phi_error_L2']
+p_error_L2 = data['p_error_L2']
+y_A_error_inf = data['y_A_error_inf']
+y_C_error_inf = data['y_C_error_inf']
+y_S_error_inf = data['y_S_error_inf']
+phi_error_inf = data['phi_error_inf']
+p_error_inf = data['p_error_inf']
+
+# Plot the results
+fig, axs = plt.subplots(ncols=2, figsize=(30, 10))
+labelsize = 30
+lw = 6
+legend_width = 8
+ms = 25
+axs[0].loglog(number_cells_vec[:-1], y_A_error_L2, 'o-', label='$y_A$', lw=lw, ms=ms)
+axs[0].loglog(number_cells_vec[:-1], y_C_error_L2, 'o-', label='$y_C$', lw=lw, ms=ms)
+axs[0].loglog(number_cells_vec[:-1], y_S_error_L2, 'o-', label='$y_S$', lw=lw, ms=ms)
+axs[0].loglog(number_cells_vec[:-1], phi_error_L2, 'o-', label='$\\varphi$', lw=lw, ms=ms)
+axs[0].loglog(number_cells_vec[:-1], p_error_L2, 'o-', label='$p$', lw=lw, ms=ms)
+axs[0].set_xlabel('log(nx)', fontsize=labelsize)
+axs[0].set_ylabel('log($L_2$)', fontsize=labelsize)
+axs[0].grid()
+axs[0].tick_params(axis='both', labelsize=labelsize)
+
+axs[1].loglog(number_cells_vec[:-1], y_A_error_inf, 'o-', lw=lw, ms=ms)
+axs[1].loglog(number_cells_vec[:-1], y_C_error_inf, 'o-', lw=lw, ms=ms)
+axs[1].loglog(number_cells_vec[:-1], y_S_error_inf, 'o-', lw=lw, ms=ms)
+axs[1].loglog(number_cells_vec[:-1], phi_error_inf, 'o-', lw=lw, ms=ms)
+axs[1].loglog(number_cells_vec[:-1], p_error_inf, 'o-', lw=lw, ms=ms)
+axs[1].set_xlabel('log(nx)', fontsize=labelsize)
+axs[1].set_ylabel('log($L_\infty$)', fontsize=labelsize)
+axs[1].grid()
+axs[1].tick_params(axis='both', labelsize=labelsize)
+
+lgnd = fig.legend(bbox_to_anchor=(0.72, 1.1), fontsize=labelsize, ncol=7, markerscale=1.)
+for line in lgnd.get_lines():
+ line.set_linewidth(legend_width)
+
+fig.tight_layout()
+fig.savefig('../Figures/Convergence.svg', bbox_inches='tight')
+fig.show()
\ No newline at end of file
diff --git a/examples/Visualizations/ElectrolyticDiode.py b/examples/Visualizations/VisElectrolyticDiode.py
similarity index 100%
rename from examples/Visualizations/ElectrolyticDiode.py
rename to examples/Visualizations/VisElectrolyticDiode.py
diff --git a/examples/Visualizations/VisNConstituentMixture.py b/examples/Visualizations/VisNConstituentMixture.py
new file mode 100644
index 0000000000000000000000000000000000000000..4266b96ee85450eb9bd6acb0451e9f1004103a7c
--- /dev/null
+++ b/examples/Visualizations/VisNConstituentMixture.py
@@ -0,0 +1,92 @@
+'''
+Jan Habscheid
+Jan.Habscheid@rwth-aachen.de
+'''
+
+import matplotlib.pyplot as plt
+import numpy as np
+
+
+# Load data
+data_4_1 = np.load('../Data/NConstituentsMixture/Mixture_4_1.npz')
+data_4_2 = np.load('../Data/NConstituentsMixture/Mixture_4_2.npz')
+data_5 = np.load('../Data/NConstituentsMixture/Mixture_5.npz')
+data_6 = np.load('../Data/NConstituentsMixture/Mixture_6.npz')
+
+x, phi, p, y, z = [], [], [], [], []
+for data in [data_4_1, data_4_2, data_5, data_6]:
+ x.append(data['x'])
+ phi.append(data['phi'])
+ p.append(data['p'])
+ y.append(data['y_alpha'])
+ z.append(data['z_alpha'])
+
+xlim = 0.05
+labelsize = 30
+lw = 4
+legend_width = 8
+subtitles_long = ['Mixture $4_1$', 'Mixture $4_2$', 'Mixture $5$', 'Mixture $6$']
+subtitles_short = ['$4_1$', '$4_2$', '$5$', '$6$']
+# Visualize the concentrations and pressure
+fig, axs = plt.subplots(nrows=2, ncols=2, figsize=(30,20))
+plotting_index = 0
+color_p = 'tab:red'
+colors = ['tab:green', 'tab:orange', 'tab:purple', 'tab:pink', 'tab:olive', 'tab:cyan']
+for i in range(2):
+ for j in range(2):
+ # Concentrations
+ for species in range(len(z[plotting_index])):
+ axs[i,j].plot(x[plotting_index], y[plotting_index][species], label=f'z = {z[plotting_index][species]}', lw=lw, color=colors[species])
+ lgnd = axs[i,j].legend(fontsize=labelsize)
+ for line in lgnd.get_lines():
+ line.set_linewidth(legend_width)
+ axs[i,j].set_xlim(0,xlim)
+ axs[i,j].grid()
+ axs[i,j].set_xlabel('$x$ [-]', fontsize=labelsize)
+ axs[i,j].set_ylabel('$y_\\alpha$ [-]', fontsize=labelsize)
+ axs[i,j].tick_params(axis='both', labelsize=labelsize)
+
+ # Pressure
+ axs_twin = axs[i,j].twinx()
+ axs_twin.plot(x[plotting_index], p[plotting_index], color=color_p, lw=lw)
+ axs_twin.set_xlim(0,xlim)
+ axs_twin.grid()
+ axs_twin.set_xlabel('$x$ [-]', fontsize=labelsize)
+ axs_twin.set_ylabel('$p$ [-]', color=color_p, fontsize=labelsize)
+ axs_twin.tick_params(axis='y', labelcolor=color_p, labelsize=labelsize)
+ axs_twin.tick_params(axis='x', labelsize=labelsize)
+
+ axs[i,j].set_title(subtitles_long[plotting_index], fontsize=labelsize)
+
+ # Next mixture
+ plotting_index += 1
+fig.tight_layout()
+fig.savefig('../Figures/NConstituentMixture_Concentrations_Pressure.svg')
+fig.show()
+
+
+
+# Visualize the electric potential
+fig, axs = plt.subplots(layout='constrained', figsize=(15, 10))
+
+for i in range(4):
+ axs.plot(x[i], phi[i], label=subtitles_short[i], lw=lw)
+# axs.plot(x[0], phi[0], label='$4_1$', lw=lw)
+# axs.plot(x[1], phi[1], label='$4_2$', lw=lw)
+# axs.plot(x[2], phi[2], label='$5$', lw=lw)
+# axs.plot(x[3], phi[3], label='$6$', lw=lw)
+axs.set_xlim(0,xlim)
+axs.set_xlabel('x [-]', fontsize=labelsize)
+axs.set_ylabel('$\\varphi$ [-]', fontsize=labelsize)
+axs.tick_params(axis='both', labelsize=labelsize)
+axs.grid()
+
+lines_labels = [ax.get_legend_handles_labels() for ax in fig.axes]
+lines, labels = [sum(lol, []) for lol in zip(*lines_labels)]
+
+lgnd = fig.legend(lines, labels, bbox_to_anchor=(0.84,1.1), ncol=4, fontsize=labelsize)
+for line in lgnd.get_lines():
+ line.set_linewidth(legend_width)
+
+fig.show()
+fig.savefig('../Figures/NConstituentMixture_ElectricPotential.svg', bbox_inches='tight')
\ No newline at end of file
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