Visualization¶
This page contains various functions to visualize functions.
Plot_1D¶
Example¶
Below, we plot the enthalpy, entropy, and Gibbs energy of a water molecule as a function of temperature at 1 bar and 10 bar.
import numpy as np
from pmutt import plot_1D
from pmutt.examples import H2O_statmech
from matplotlib import pyplot as plt
T = np.linspace(300., 500.) # K
fig1, ax1 = plot_1D(H2O_statmech, x_name='T', x_values=T,
methods=('get_H', 'get_S', 'get_G'),
get_H_kwargs={'units':'kcal/mol'},
get_S_kwargs={'units':'cal/mol/K'},
get_G_kwargs={'units': 'kcal/mol'})
# Passing the figure and ax arguments superimpose the plots
fig1, ax1 = plot_1D(H2O_statmech, x_name='T', x_values=T,
P=10., methods=('get_H', 'get_S', 'get_G'),
get_H_kwargs={'units':'kcal/mol'},
get_S_kwargs={'units':'cal/mol/K'},
get_G_kwargs={'units': 'kcal/mol'},
figure=fig1, ax=ax1)
# Add legend to matplotlib axes
ax1[2].legend(['1 bar', '10 bar'])
ax1[0].set_ylabel('H (kcal/mol)')
ax1[1].set_ylabel('S (cal/mol/K)')
ax1[2].set_ylabel('G (kcal/mol)')
plt.show()
Plot_2D¶
Below, we plot the enthalpy, entropy, and Gibbs energy of a water molecule as a function of temperature and pressure.
Example¶
import numpy as np
from pmutt import plot_2D
from pmutt.examples import H2O_statmech
from matplotlib import pyplot as plt
T = np.linspace(300., 500.) # K
P = np.logspace(-3, 3) # bar
fig1, ax1, c1, cbar1 = plot_2D(H2O_statmech,
x1_name='T', x1_values=T,
x2_name='P', x2_values=P,
methods=('get_H', 'get_S', 'get_G'),
get_H_kwargs={'units':'kcal/mol'},
get_S_kwargs={'units':'cal/mol/K'},
get_G_kwargs={'units': 'kcal/mol'})
plt.show()