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Created November 15, 2020 20:18
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#!/usr/bin/env python
# Copyright: This document has been placed in the public domain.
__author__ = "Yannick Copin <yannick.copin@laposte.net>"
import numpy as N
import scipy.optimize as O
import scipy.integrate as I
import matplotlib.pyplot as P
P.matplotlib.style.use('classic')
def isotherme(v, t=1):
"""Equation des isothermes p=P/Pc--v=V/Vc en fonction de t=T/Tc"""
return 8*t/(3*v - 1) - 3/v**2
def dpdv(v, t=1):
return -24*t/(3*v-1)**2 + 6/v**3
def spinodale(v):
"""Equation de la spinodale: dp/dv=0"""
#return 2*(3*v - 1)/v**3 - 3/v**2
return 3/v**2 - 2/v**3
def objfunc(p0, t, roots=False):
# Solutions de p(v) = p0
p0 = N.squeeze(p0)
sols = N.roots([3*p0, -(p0+8*t), 9, -3])
if not N.isreal(sols).all():
sols = sols.real
v1,v0,v2 = N.sort(sols)
if roots:
return v1,v2
i1,err = I.quad(lambda v:isotherme(v,t=t) - p0, v1,v0)
i2,err = I.quad(lambda v:isotherme(v,t=t) - p0, v0,v2)
return i1 + i2
def pSat(t):
"""Calcule de la pression de vapeur saturante a t"""
if t > 1:
raise ValueError("La pression de vapeur saturante est definie pour t<1")
# Intersection de la spinodale avec l'isotherme
sols = N.roots([4*t, -9, 6, -1])
tmp,v1,v2 = N.sort(sols)
p1,p2 = isotherme(N.array([v1,v2]), t=t)
# zero de objfunc, pour p1 < p0 < p2
try:
psat = O.brentq(objfunc, p1, p2, args=(t,))
except ValueError:
psat = N.nan
return psat
def courbeSat(t=None):
if t is None:
t = N.linspace(0.85,1-1e-6)
psats = N.array([ pSat(tt) for tt in t ])
good = N.isfinite(psats)
vsats = N.array([ objfunc(psat,tt, roots=True)
for psat,tt in zip(psats[good],t[good]) ])
vs = N.concatenate((vsats[:,0],vsats[:,1][::-1]))
ps = N.concatenate((psats[good],psats[good][::-1]))
return vs,ps
#fig,ax = P.subplots(1,1)
fig = P.figure()
ax = fig.add_subplot(1,1,1)
ax.set_title("Isothermes du gaz de Van der Waals")
ax.set_xlabel("V/Vc")
ax.set_ylabel("P/Pc")
v = N.linspace(0.4,5,1000)
for t in N.linspace(0.8,1.2,21):
ax.plot(v,isotherme(v,t), c='0.8', label="_")
ax.plot(v,isotherme(v,0.9), label="T/Tc=0.9")
ax.plot(v,isotherme(v,1), label="T/Tc=1")
ax.plot(v,isotherme(v,1.1), label="T/Tc=1.1")
ax.plot([1],[1],'go', label='_')
ax.annotate('Point critique', (1,1), (5,5), textcoords='offset points')
ax.plot(v,spinodale(v), 'k--', label='Spinodale')
vsats,psats = courbeSat()
ax.plot(vsats,psats, 'k-', label='Courbe de saturation')
psat = pSat(0.9)
v1,v2 = objfunc(psat,0.9,roots=True)
ax.plot([v1,v2],[psat]*2, 'bo-', label='_')
vs = N.linspace(v1,v2,100)
ax.fill_between(vs,vs*0+psat,isotherme(vs,t=0.9),
facecolor='b', edgecolor='none', alpha=0.2)
ax.legend()
#ax.semilogx()
#xticks = [0.4,0.6,0.8,1,2,3,4,5]
#ax.set(xticks=xticks, xticklabels=map(lambda v:'%.1f'%v,xticks))
#ax.set_xlim(0.4,5)
ax.set_xlim(0.4,3)
ax.set_ylim(0,2.5)
P.show()
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