gas1 = ct.Solution(mech)
gas1.TPX = T1,P1,q
nsp = gas1.n_species
# FIND POST SHOCK STATE FOR GIVEN SPEED
gas = PostShock_fr(U1, P1, T1, q, mech)
# SOLVE REACTION ZONE STRUCTURE ODES
out = zndsolve(gas,gas1,U1,t_end=0.2,max_step=0.01,relTol=1e-12,absTol=1e-12)
if graphing:
# Demonstrate using the figure outputs from znd_plot to make further formatting
# adjustments, then saving
maxx = max(out['distance'])
figT,figP,figM,figTherm,figSpec = znd_plot(out,maxx=maxx,major_species='All',
xscale='log',show=False)
figSpec.axes[0].set_xlim((1e-5,None))
figSpec.axes[0].set_ylim((1e-10,1))
plt.show()
figP.savefig('shk-P.eps',bbox_inches='tight')
figT.savefig('shk-T.eps',bbox_inches='tight')
figM.savefig('shk-M.eps',bbox_inches='tight')
figTherm.savefig('shk-therm.eps',bbox_inches='tight')
figSpec.savefig('shk-Y.eps',bbox_inches='tight')
# Can't pickle Cantera Solution objects due to underlying C++ structure,
# so remove it from dictionary first
out.pop('gas1')
import cantera as ct
P1 = 100000
T1 = 300
q = 'H2:2 O2:1 N2:3.76'
mech = 'Mevel2017.cti'
file_name = 'h2air'
# Find CJ speed and related data, make CJ diagnostic plots
cj_speed, R2, plot_data = CJspeed(P1, T1, q, mech, fullOutput=True)
CJspeed_plot(plot_data, cj_speed)
# Set up gas object
gas1 = ct.Solution(mech)
gas1.TPX = T1, P1, q
# Find post shock state for given speed
gas = PostShock_fr(cj_speed, P1, T1, q, mech)
# Solve ZND ODEs, make ZND plots
znd_out = zndsolve(gas, gas1, cj_speed, t_end=1e-5, advanced_output=True)
znd_plot(znd_out)
znd_fileout(file_name, znd_out)
print('Reaction zone pulse width (exothermic length) = %.4g m' %
znd_out['exo_len_ZND'])
print('Reaction zone induction length = %.4g m' % znd_out['ind_len_ZND'])
print('Reaction zone pulse time (exothermic time) = %.4g s' %
znd_out['exo_time_ZND'])
print('Reaction zone induction time = %.4g s' % znd_out['ind_time_ZND'])
print('Reaction zone thermicity half-width = {:8.3e} m'.format(
out['exo_len_ZND']))
print('Reaction zone maximum thermicity distance = {:8.3e} m'.format(
out['ind_len_ZND']))
print('Reaction zone thermicity half-time = {:8.3e} s'.format(
out['exo_time_ZND']))
print('Reaction zone maximum thermicity time = {:8.3e} s'.format(
out['ind_time_ZND']))
print('Reaction zone width (u_cj/sigmadot_max) = {:8.3e} m'.format(
max_thermicity_width_ZND))
print(' ')
print('CV computation results; ')
print('Time to dT/dt_max = {:8.3e} s'.format(CVout1['ind_time']))
print('Distance to dT/dt_max = {:8.3e} m'.format(CVout1['ind_time'] *
out['U'][0]))
print('Reduced activation energy) = {:8.3e}'.format(theta_effective_CV))
print('Time to 50% consumption = {:8.3e} s'.format(t_gav))
print('Distance to 50% consumption = {:8.3e} m'.format(x_gav))
print('Time to 50% temperature rise = {:8.3e} s'.format(t_west))
print('Distance to 50% temperature = {:8.3e} m'.format(x_west))
print(' ')
print('Cell size predictions ')
print('Gavrikov correlation = {:8.3e} m'.format(cell_gav))
print('Ng et al Chi Parameter = {:8.3e} m'.format(chi_ng))
print('Ng et al correlation = {:8.3e} m'.format(cell_ng))
print('Westbrook correlation = {:8.3e} m'.format(29 * x_west))
znd_plot(out,
maxx=0.001,
major_species=['H2', 'O2', 'H2O'],
minor_species=['H', 'O', 'OH', 'H2O2', 'HO2'])