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Capacitance.py
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Capacitance.py
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# Potencial.py
# generates a potential ramp #
# *** warning supresion
import warnings
warnings.filterwarnings("ignore")
import time
# *** numeric libraries
try:
import numpy as np #pip3 install numpy
from functools import reduce
import scipy.io
from scipy.interpolate import interp1d
except:
print('WARNNING :: Potencial.py :: can NOT correctly import numerical libraries')
print('Install by: ( pip3 install scipy )')
# *** graph libraries
try:
import matplotlib.pyplot as plt #pip3 install matplotlib
from matplotlib.animation import FuncAnimation
import ipywidgets as widgets
except:
print('WARNNING :: Potencial.py :: can NOT correctly import graph libraries')
print('Install by: ( pip3 install matplotlib )')
class Capacitance(object):
def __init__(self, Er=None, E0=None, Xh=None,
z=None, e=None, Kb=None,
T=None, ni=None,
C=None, Xdl=None,
K1=None, K2=None, K3=None, ):
# == Physical parameters == #
self.Er = Er # Solution permittivity | Float |
self.E0 = E0 # vacuum permittivity | Float |
self.Xh = Xh #
self.z = z # 1Q
self.e = e #
self.Kb = Kb #
self.T = T # 298K | temperatura | Float |
self.ni = ni #
self.initialize(Er, E0, Xh, z, e, Kb, T, ni)
self.K1 = K1
self.K2 = K2
self.K3 = K3
self.evaluate_K()
self._C = None
self.Ch = None
self.Cgc= None
self._U = None
self.Xdl = Xdl # 0.3nm in water + 1M
@property
def C(self):
return self._C
@C.setter
def C(self, U=None, K1=None, K2=None, K3=None):
K1 = K1 if type(K1) != type(None) else self.K1
K2 = K2 if type(K2) != type(None) else self.K2
K3 = K3 if type(K3) != type(None) else self.K3
U = U if type(U) != type(None) else self.U
Ch = np.repeat(K1, U.shape)
K1, K2, K3 = 1,1,1
Cgc = K2*np.cosh(K3*U)
self._C = Ch*Cgc/(Ch+Cgc)
self.Ch = Ch
self.Cgc = Cgc
@property
def U(self):
return self._U
@U.setter
def U(self, u):
self.C = u
self._U = u
def initialize(self, Er=None, E0=None, Xh=None,
z =None, e =None, Kb=None,
T =None, ni=None, save=True):
# == Physical parameters == #
E0 = E0 if type(E0) != type(None) else 500 # vacuum permittivity | Float |
Er = Er if type(Er) != type(None) else E0*80.2 # Solution permittivity | Float |
Xh = Xh if type(Xh) != type(None) else 1
z = z if type(z) != type(None) else 1 # 1Q
e = e if type(e) != type(None) else 1
Kb = Kb if type(Kb) != type(None) else 1
T = T if type(T) != type(None) else 298 # 298K | temperatura | Float |
ni = ni if type(ni) != type(None) else 1
if save:
self.Er, self.E0, self.Xh = Er, E0, Xh
self.Kb, self.T, self.ni = Kb, T , ni
self.z , self.e = z, e
return Er, E0, Xh, z, e, Kb, T, ni
def print(self, ):
if type(self.U) == np.ndarray:
print(f'')
def timer(func):
def wrapper(*args, **kwargs):
before = time.time()
func(*args, **kwargs)
print(f'{func} {time.time()-before}s ')
return wrapper
def evaluate_K(self, Er=None, E0=None, Xh=None,
z=None, e=None, Kb=None,
T=None, ni=None, save=True):
Er = Er if type(Er) != type(None) else self.Er
E0 = E0 if type(E0) != type(None) else self.E0
Xh = Xh if type(Xh) != type(None) else self.Xh
z = z if type(z) != type(None) else self.z
e = e if type(e) != type(None) else self.e
Kb = Kb if type(Kb) != type(None) else self.Kb
T = T if type(T) != type(None) else self.T
ni = ni if type(ni) != type(None) else self.ni
K1 = Er*E0/Xh
K2 = (2*Er*E0*z**2*e**2*ni/(Kb*T))**0.5
K3 = z*e/(2*Kb*T)
if save:
self.K1, self.K2, self.K3 = K1, K2, K3
self.Er, self.E0, self.Xh = Er, E0, Xh
self.Kb, self.T, self.ni = Kb, T , ni
self.z ,self.e = z, e
return K1, K2, K3
def GC_thickness(self, Er=None, E0=None, Xh=None,
z=None, e=None, Kb=None,
T=None, ni=None, save=True):
Er = Er if type(Er) != None else self.Er
E0 = E0 if type(E0) != None else self.E0
Xh = Xh if type(Xh) != None else self.Xh
z = z if type(z) != None else self.z
e = e if type(e) != None else self.e
Kb = Kb if type(Kb) != None else self.Kb
T = T if type(T) != None else self.T
ni = ni if type(ni) != None else self.ni
Xdl = (E0*Er*Kb*T/ (2*ni*z**2*e**2) )**0.5
if save:
self.Xdl = Xdl
self.Er, self.Er, self.Xh = Er, E0, Xh
self.Kb, self.T, self.ni = Kb, T , ni
self.z ,self.e = z, e
return self.Xdl
@timer
def plot(self, ax=None):
# === Initialize variables === #
if type(ax) == type(None): fig, ax = plt.subplots(1,1)
# === PLOT === #
ax.plot(self.U, self.C, lw=2, ls='-', color=(0.7,0.4,0.4), alpha=0.9, label='Gouy–Chapman–Stern (GCS) capacitance model' )
ax.plot(self.U, self.Ch, lw=2, ls='-', color=(0.7,0.7,0.4), alpha=0.9, label='Helmholtz Capacitance' )
ax.plot(self.U, self.Cgc , lw=2, ls='-', color=(0.7,0.4,0.7), alpha=0.9, label='Gouy–Chapman Capacitance' )
ax.set_ylim(np.min(self.C)*0.9, np.min(self.Cgc)*1.7)
ax.set_xlabel('Potential ')
ax.set_ylabel('Captacitance')
ax.set_title('Double layer - Gouy–Chapman–Stern (GCS) capacitance model')
# === LABEL hansdler === #
handles, labels = ax.get_legend_handles_labels()
# reverse the order
ax.legend(handles[::-1], labels[::-1])
# or sort them by labels
import operator
hl = sorted(zip(handles, labels),
key=operator.itemgetter(1))
handles2, labels2 = zip(*hl)
ax.legend(handles2, labels2)
@timer
def cookbook(self, ):
'''
# @property
# @prop.setter
# @deleter
U = Potential()
U.generate(duration=5, dt=0.1, ciclos=6, slope=2)
U.plot()
plt.show()
'''
self.initialize()
self.U = np.arange(-20,20,0.1)
self.plot()
plt.show()
'''
C = Capacitance()
C.cookbook()
'''