c_vap = nparticular # Right (liquid) a_liq = nparticular c_liq = 0.55 / (SW.sigma**3 * np.pi / 6) ############################### # Open file for output fout = open('figs/npart_SW-out.dat', 'w') # label the columns of the output fout.write( '#T nvapor nliquid phi(nvap) phi(nliq) nparticular\n' ) # phi_avg') # Do first temperature before the loop nvapor, phi_vapor = minmax.minimize(SW.phi, T, a_vap, c_vap, nparticular) nliquid, phi_liquid = minmax.minimize(SW.phi, T, a_liq, c_liq, nparticular) sys.stdout.flush() #while T < 1.4: for i in xrange(0, N + 1): T = (Tc - Tlow) * (1 - ((N - i) / N)**4) + Tlow fout.flush() # Starting point for new nparticular is abscissa of max SW.phi with old nparticular nparticular = minmax.maximize(SW.phi, T, nvapor, nliquid, nparticular) # I'm looking at the minima of SW.phi c_vap = nparticular a_liq = nparticular
# Left (vapor) a_vap = 1e-10/(SW.sigma**3*np.pi/6) c_vap = nparticular # Right (liquid) a_liq = nparticular c_liq = 0.55/(SW.sigma**3*np.pi/6) ############################### # Open file for output fout = open('figs/npart_SW-out.dat','w') # label the columns of the output fout.write('#T nvapor nliquid phi(nvap) phi(nliq) nparticular\n')# phi_avg') # Do first temperature before the loop nvapor,phi_vapor = minmax.minimize(SW.phi,T,a_vap,c_vap,nparticular) nliquid,phi_liquid = minmax.minimize(SW.phi,T,a_liq,c_liq,nparticular) sys.stdout.flush() #while T < 1.4: for i in xrange(0,N+1): T = (Tc - Tlow)*(1 - ((N-i)/N)**4) + Tlow fout.flush() # Starting point for new nparticular is abscissa of max SW.phi with old nparticular nparticular = minmax.maximize(SW.phi,T,nvapor, nliquid, nparticular) # I'm looking at the minima of SW.phi c_vap = nparticular a_liq = nparticular
c_vap = 0.4 / H.conv_n # Right a_liq = 0.4 / H.conv_n c_liq = 1.05 / H.conv_n ############################### # Open file for output fout = open('figs/npart_Hughes-out.dat', 'w') # label the columns of the output fout.write( '#T nvapor(g/ml) nliquid(g/mL) phi(nvap)(atm) phi(nliq)(atm) nparticular' ) # Do first temperature before the loop leftmin_n, leftmin_phi = minmax.minimize(H.Phi_alt, T, a_vap, c_vap, nparticular) rightmin_n, rightmin_phi = minmax.minimize(H.Phi_alt, T, a_liq, c_liq, nparticular) leftmin_n = a_vap rightmin_n = c_liq # while T < 800: for i in xrange(0, N + 1): T = (Tc - Tlow) * (1 - ((N - i) / N)**4) + Tlow fout.flush() # Starting point for new nparticular is abscissa of max H.Phi_alt with old nparticular nparticular = minmax.maximize(H.Phi_alt, T, leftmin_n, rightmin_n, nparticular) tol_nparticular = 1e-2 / H.conv_n
a_vap = 1e-8/H.conv_n c_vap = 0.4/H.conv_n # Right a_liq = 0.4/H.conv_n c_liq = 1.05/H.conv_n ############################### # Open file for output fout = open('figs/npart_Hughes-out.dat','w') # label the columns of the output fout.write('#T nvapor(g/ml) nliquid(g/mL) phi(nvap)(atm) phi(nliq)(atm) nparticular') # Do first temperature before the loop leftmin_n,leftmin_phi = minmax.minimize(H.Phi_alt,T,a_vap,c_vap,nparticular) rightmin_n,rightmin_phi = minmax.minimize(H.Phi_alt,T,a_liq,c_liq,nparticular) leftmin_n = a_vap rightmin_n = c_liq # while T < 800: for i in xrange(0,N+1): T = (Tc - Tlow)*(1 - ((N-i)/N)**4) + Tlow fout.flush() # Starting point for new nparticular is abscissa of max H.Phi_alt with old nparticular nparticular = minmax.maximize(H.Phi_alt,T,leftmin_n, rightmin_n, nparticular) tol_nparticular = 1e-2/H.conv_n