diff --git a/examples/ReproducableCode/Compressibility.py b/examples/ReproducableCode/Compressibility.py index 2d977bf0ac7c504006ab69e4e3f7b109c8ad0430..98d10050d62ce667bea598519630ad1e9e3c1493 100644 --- a/examples/ReproducableCode/Compressibility.py +++ b/examples/ReproducableCode/Compressibility.py @@ -1,6 +1,8 @@ ''' Jan Habscheid Jan.Habscheid@rwth-aachen.de + +This script is used to analyze the compressibility of a ternary electrolyte. ''' # import the src file needed to solve the system of equations diff --git a/examples/ReproducableCode/Convergence.py b/examples/ReproducableCode/Convergence.py index b7d7bb12de951e44f192bb8d6a099e6b1e7a7603..910ed63e8f23890ea3a0a21aeca661b947538273 100644 --- a/examples/ReproducableCode/Convergence.py +++ b/examples/ReproducableCode/Convergence.py @@ -1,6 +1,8 @@ ''' Jan Habscheid Jan.Habscheid@rwth-aachen.de + +This script is used to compare the convergence of the DGM model ''' # import the src file needed to solve the system of equations diff --git a/examples/ReproducableCode/DoubleLayerCapacity/Compressibility.py b/examples/ReproducableCode/DoubleLayerCapacity/Compressibility.py index a7fb37a99fe210444c11252dda6b549de10cf9da..9f1eff086027c9d788b24c1420a02311acdc0925 100644 --- a/examples/ReproducableCode/DoubleLayerCapacity/Compressibility.py +++ b/examples/ReproducableCode/DoubleLayerCapacity/Compressibility.py @@ -1,6 +1,8 @@ ''' Jan Habscheid Jan.Habscheid@rwth-aachen.de + +This script is used to analyze the influence of the compressibility on the charge of the system and the double-layer capacity. ''' # import the src file needed to solve the system of equations diff --git a/examples/ReproducableCode/DoubleLayerCapacity/Lambda.py b/examples/ReproducableCode/DoubleLayerCapacity/Lambda.py index fdf0c34a0d205df7240b693576f3a58057fd871c..14c2314c092ab0fa1c5839bde5fee560ffe80338 100644 --- a/examples/ReproducableCode/DoubleLayerCapacity/Lambda.py +++ b/examples/ReproducableCode/DoubleLayerCapacity/Lambda.py @@ -1,6 +1,8 @@ ''' Jan Habscheid Jan.Habscheid@rwth-aachen.de + +This script is used to analyze the influence of the dimensionless parameter λ on the charge of the system and the double-layer capacity. ''' # import the src file needed to solve the system of equations diff --git a/examples/ReproducableCode/DoubleLayerCapacity/Molarity.py b/examples/ReproducableCode/DoubleLayerCapacity/Molarity.py index 00e231c195144d5ea3fb4c638c5440f55c74de36..cc3bc186ab208602b544e7649bdd1bee8e0cf71c 100644 --- a/examples/ReproducableCode/DoubleLayerCapacity/Molarity.py +++ b/examples/ReproducableCode/DoubleLayerCapacity/Molarity.py @@ -1,6 +1,8 @@ ''' Jan Habscheid Jan.Habscheid@rwth-aachen.de + +This script is used to analyze the influence of the molarity on the charge of the system and the double-layer capacity. ''' # import the src file needed to solve the system of equations diff --git a/examples/ReproducableCode/DoubleLayerCapacity/Solvation.py b/examples/ReproducableCode/DoubleLayerCapacity/Solvation.py index 70fe587a4673f5d1638019065ba2fd94ef51f831..7f3b4cf680fe539acda4d9057390f7005fe8e4b8 100644 --- a/examples/ReproducableCode/DoubleLayerCapacity/Solvation.py +++ b/examples/ReproducableCode/DoubleLayerCapacity/Solvation.py @@ -1,6 +1,8 @@ ''' Jan Habscheid Jan.Habscheid@rwth-aachen.de + +This script is used to analyze the influence of the solvation on the charge of the system and the double-layer capacity. ''' # import the src file needed to solve the system of equations diff --git a/examples/ReproducableCode/DoubleLayerCapacity/ValidationAnalyticalMethod.py b/examples/ReproducableCode/DoubleLayerCapacity/ValidationAnalyticalMethod.py index c9d626eca5aa406e28b3e6e9841eba894a7f44eb..75f11a76f6ee1664a4949e5333b5e8a6d78647de 100644 --- a/examples/ReproducableCode/DoubleLayerCapacity/ValidationAnalyticalMethod.py +++ b/examples/ReproducableCode/DoubleLayerCapacity/ValidationAnalyticalMethod.py @@ -1,6 +1,8 @@ ''' Jan Habscheid Jan.Habscheid@rwth-aachen.de + +This script is used to validate the analytical method for the calculation of the double layer capacity. ''' # import the src file needed to solve the system of equations @@ -8,7 +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 Eq02 import solve_System_2eq @@ -90,6 +92,7 @@ Q_ana = Q_DL_dimless_ana(y_R, y_R, 1-2*y_R, z_A, z_C, phi_left, phi_right, p_rig C_DL_ana = C_dl(Q_ana, phi_left) +# Plotting plt.figure() plt.plot(phi_left, Q_num - Q_ana, label='Difference') plt.grid() diff --git a/examples/ReproducableCode/OneDimensionalEquilibrium-AnInstructiveExample.py b/examples/ReproducableCode/OneDimensionalEquilibrium-AnInstructiveExample.py index 290c56c517a79973a47907319ebbf7f79a49ae32..429cdbe6825c0c97d644bd98f56307e4485b7819 100644 --- a/examples/ReproducableCode/OneDimensionalEquilibrium-AnInstructiveExample.py +++ b/examples/ReproducableCode/OneDimensionalEquilibrium-AnInstructiveExample.py @@ -1,6 +1,9 @@ ''' Jan Habscheid Jan.Habscheid@rwth-aachen.de + +This script is used to calculate the simplified one-dimensional equilibrium problem with a changed setting. +For more information see the corresponding thesis. ''' import numpy as np diff --git a/examples/ReproducableCode/PoissonBoltzmann.py b/examples/ReproducableCode/PoissonBoltzmann.py index 20aab35ef4928c219d9c3ac23cec3cbeccb8978c..ff86a1e892a1fca866595a7ed28f8befe02f5340 100644 --- a/examples/ReproducableCode/PoissonBoltzmann.py +++ b/examples/ReproducableCode/PoissonBoltzmann.py @@ -1,6 +1,8 @@ ''' Jan Habscheid Jan.Habscheid@rwth-aachen.de + +This script is used to compare the thermodynamically consistent model, proposed by Dreyer, Guhlke and Müller, against the classical Nernst-Plank model with the Poisson-Boltzmann formulation. ''' # import the src file needed to solve the system of equations diff --git a/examples/ReproducableCode/Solvation.py b/examples/ReproducableCode/Solvation.py index 5ab0f42bde1a2616b75b52e750fc2d71b5b0f368..a096d1513f16b9f0f78eb25d05ce3eb230f632e2 100644 --- a/examples/ReproducableCode/Solvation.py +++ b/examples/ReproducableCode/Solvation.py @@ -1,6 +1,8 @@ ''' Jan Habscheid Jan.Habscheid@rwth-aachen.de + +This script is used to analyze the solvation effect of an incomressible, ternary electrolyte. ''' # import the src file needed to solve the system of equations diff --git a/examples/ReproducableCode/TernaryElectrolyte.py b/examples/ReproducableCode/TernaryElectrolyte.py index 1c26bc39884798dca2fc39335d4f2594f407d1f1..bd8fa11fee669a5cd6ef44edb8b333718bc32b4a 100644 --- a/examples/ReproducableCode/TernaryElectrolyte.py +++ b/examples/ReproducableCode/TernaryElectrolyte.py @@ -1,6 +1,8 @@ ''' Jan Habscheid Jan.Habscheid@rwth-aachen.de + +This script is used to calculate some first results for the incompressible, ternary electrolyte. ''' # import the src file needed to solve the system of equations