using DifferentialEquations using PyPlot using RMS phaseDict = readinput("../src/testing/superminimal.yml") #load mechanism dictionary spcs = phaseDict["gas"]["Species"]; #mechanism dictionaries index: phaseDict[phasename]["Species" or "Reactions"] rxns = phaseDict["gas"]["Reactions"]; ig = IdealGas(spcs,rxns,name="gas"); #Define the phase (how species thermodynamic and kinetic properties calculated) initialconds = Dict(["T"=>1000.0,"P"=>1e5,"H2"=>0.67,"O2"=>0.33]); #Set simulation Initial Temp and Pressure domain,y0 = ConstantTPDomain(phase=ig,initialconds=initialconds;sensitivity=true); #Define the domain (encodes how system thermodynamic properties calculated) react = Reactor(domain,y0,(0.0,150.1)); #Create the reactor object sol = solve(react.ode,CVODE_BDF(),abstol=1e-20,reltol=1e-12); #solve the ode associated with the reactor bsol = Simulation(sol,domain); plotmolefractions(bsol,150.0; t0=1e-15, N=1000, tol=0.01) plotmaxratesensitivity(bsol,"OH(D)") plotmaxthermosensitivity(bsol,"OH(D)")