def test_ideal_gas_press():
TOL = .03
xHS = 1.0
# atmospheric conditions
mHS = 28.97
kT = 1.0/40 # 300 K
V0 = 39270.0
V_a = V0*np.array([0.99,1.01])
# 1bar = kT/V0*1.6e6
# V_a = V0*np.linspace( .5, 5, 1001)
# from IPython import embed; embed(); import ipdb; ipdb.set_trace()
Fgas_a = np.zeros( V_a.shape )
Sgas_a = np.zeros( V_a.shape )
for ind, V in enumerate( V_a ):
iFgas, iSgas = hsmix.ideal_gas( V, kT, xHS, mHS )
Fgas_a[ind] = iFgas
Sgas_a[ind] = iSgas
P = -np.diff(Fgas_a)/np.diff(V_a)*hsmix.GPA_EV_ANG3
assert np.abs(np.log(P*1e4/1.013)) < TOL, \
'Must recover 1 bar atmospheric pressure'
def test_ideal_gas_entropy():
TOL = 1e-3
xHS = 1.0
# atmospheric conditions
mHS = 28.97
kT0 = 1.0/40 # 300 K
kT_a = kT0*np.array([.99,1.01])
V = 39270.0
# 1bar = kT/V0*1.6e6
# V_a = V0*np.linspace( .5, 5, 1001)
# from IPython import embed; embed(); import ipdb; ipdb.set_trace()
Fgas_a = np.zeros( kT_a.shape )
Sgas_a = np.zeros( kT_a.shape )
for ind, kT in enumerate( kT_a ):
iFgas, iSgas = hsmix.ideal_gas( V, kT, xHS, mHS )
Fgas_a[ind] = iFgas
Sgas_a[ind] = iSgas
S = -np.diff(Fgas_a)/np.diff(kT_a)
assert np.abs( np.log( np.mean(Sgas_a)/S ) ) < TOL
def eval_ideal_gas_energy(self, V, T, X_a):
kT = KT300 * T / 300.0
mass = self.comp_mass
Fgas, Sgas = hsmix.ideal_gas(V, kT, X_a, mass)
return Fgas
def eval_ideal_gas_energy(self, V, T, X_a):
kT = KT300 * T / 300.0
mass = self.comp_mass
Fgas, Sgas = hsmix.ideal_gas(V, kT, X_a, mass)
return Fgas
