ZNDout = zndsolve(gas,gas1,cj_speed[i],advanced_output=True)
ind_time_ZND[i] = ZNDout['ind_time_ZND']
ind_len_ZND[i] = ZNDout['ind_len_ZND']
exo_time_ZND[i] = ZNDout['exo_time_ZND']
exo_len_ZND[i] = ZNDout['exo_len_ZND']
Tf_ZND[i] = ZNDout['T'][-1]
##Calculate CJstate Properties###
gas = PostShock_eq(cj_speed[i],P1[i], T1,x, mech)
T2[i] = gas.T
P2[i] = gas.P
rho2[i] = gas.density
#Approximate the effective activation energy using finite differences
Ta = Ts[i]*(1.02)
gas.TPX = Ta,Ps[i],x
CVout1 = cvsolve(gas,t_end=1e-4)
taua = CVout1['ind_time']
Tb = Ts[i]*(0.98)
gas.TPX = Tb,Ps[i],x
CVout2 = cvsolve(gas,t_end=1e-4)
taub = CVout2['ind_time']
#Approximate effective activation energy for CV explosion
if taua == 0 and taub == 0:
theta_effective_CV[i] = 0
else:
theta_effective_CV[i] = 1.0/Ts[i]*((np.log(taua)-np.log(taub))/((1.0/Ta)-(1.0/Tb)))
# Approximate effective activation energy for ZND Detonation
gas = PostShock_fr(cj_speed[i]*1.02,P1[i],T1,x, mech)
Ta = gas.T
P3.append(P[-1] + u[-1]*(P[-2]-P[-1])/(u[-2]-u[-1]))
# Tune dt for quicker solving of ODEs. For these parameters, Case 1 has a much longer timescale
# than the other cases.
if i == 0:
t_end = 1e-3
dt = 1e-5
else:
t_end = 5e-5
dt = 1e-7
# Approximate the effective activation energy using finite differences
gas = PostShock_fr(Ucj[-1], P1, T1, x, mech)
Ts = gas.T; Ps = gas.P
Ta = Ts*(1.02)
gas.TPX = Ta,Ps,x
CVout1 = cvsolve(gas,t_end=t_end,max_step=dt)
Tb = Ts*(0.98)
gas.TPX = Tb,Ps,x
CVout2 = cvsolve(gas,t_end=t_end,max_step=dt)
# Approximate effective activation energy for CV explosion
taua = CVout1['ind_time']
taub = CVout2['ind_time']
if taua==0 and taub==0:
theta_effective_CV.append(0)
else:
theta_effective_CV.append(1/Ts*((np.log(taua)-np.log(taub))/((1/Ta)-(1/Tb))))
print('--------------------------------------');
# Find post shock state for given speed
gas.TPX = T1,P1,x
gas = PostShock_fr(cj_speed*overdrive[i], P1, T1, x, mech)
Ts[i] = gas.T # frozen shock temperature
Ps[i] = gas.P # frozen shock pressure
### Constant Volume Explosion Data ###
# Solve constant volume explosion ODEs
CVout = cvsolve(gas)
exo_time_CV[i] = CVout['exo_time']
ind_time_CV[i] = CVout['ind_time']
### ZND Detonation Data ###
gas.TPX = T1,P1,x
gas = PostShock_fr(cj_speed*overdrive[i], P1, T1, x, mech)
# Solve znd detonation ODEs
ZNDout = zndsolve(gas,gas1,cj_speed*overdrive[i],advanced_output=True)
exo_time_ZND[i] = ZNDout['exo_time_ZND']
exo_len_ZND[i] = ZNDout['exo_len_ZND']
ind_time_ZND[i] = ZNDout['ind_time_ZND']
ind_len_ZND[i] = ZNDout['ind_len_ZND']
Tf_ZND[i] = ZNDout['T'][-1]
### Calculate CJ state properties ###
gas = PostShock_eq(cj_speed*overdrive[i], P1, T1, x, mech);
T2[i] = gas.T
P2[i] = gas.P
rho2[i] = gas.density
