add sensitivity examples in ConstantTPH2Combustion.ipynb

Author: mjohnson541

iJulia/ConstantTPH2Combustion.ipynb

@@ -6,7 +6,9 @@
    "metadata": {},
    "outputs": [],
    "source": [
-    "using DifferentialEquations\n",
+    "using DiffEqBase\n",
+    "using Sundials\n",
+    "using DiffEqSensitivity\n",
     "using PyPlot\n",
     "using ReactionMechanismSimulator"
    ]
@@ -38,7 +40,7 @@
    "source": [
     "ig = IdealGas(spcs,rxns,name=\"gas\"); #Define the phase (how species thermodynamic and kinetic properties calculated)\n",
     "initialconds = Dict([\"T\"=>1000.0,\"P\"=>1e5,\"H2\"=>0.67,\"O2\"=>0.33]); #Set simulation Initial Temp and Pressure\n",
-    "domain,y0 = ConstantTPDomain(phase=ig,initialconds=initialconds;sensitivity=true); #Define the domain (encodes how system thermodynamic properties calculated)"
+    "domain,y0,p = ConstantTPDomain(phase=ig,initialconds=initialconds); #Define the domain (encodes how system thermodynamic properties calculated)"
    ]
   },
   {
@@ -47,7 +49,7 @@
    "metadata": {},
    "outputs": [],
    "source": [
-    "react = Reactor(domain,y0,(0.0,150.1)); #Create the reactor object"
+    "react = Reactor(domain,y0,(0.0,150.1);p=p); #Create the reactor object"
    ]
   },
   {
@@ -58,7 +60,7 @@
    },
    "outputs": [],
    "source": [
-    "sol = solve(react.ode,DifferentialEquations.CVODE_BDF(),abstol=1e-20,reltol=1e-12); #solve the ode associated with the reactor"
+    "sol = solve(react.ode,CVODE_BDF(),abstol=1e-20,reltol=1e-12); #solve the ode associated with the reactor"
    ]
   },
   {
@@ -85,7 +87,7 @@
    "metadata": {},
    "outputs": [],
    "source": [
-    "plotmaxratesensitivity(bsol,\"H2\")"
+    "plotrops(bsol,\"OH\",tol=0.01)"
    ]
   },
   {
@@ -94,7 +96,8 @@
    "metadata": {},
    "outputs": [],
    "source": [
-    "plotmaxthermosensitivity(bsol,\"H2\")"
+    "#Adjoint Sensitivities\n",
+    "dps = getadjointsensitivities(bsol,\"H2\",CVODE_BDF();sensealg=InterpolatingAdjoint(autojacvec=ReverseDiffVJP(true)),abstol=1e-8,reltol=1e-6)"
    ]
   },
   {
@@ -103,7 +106,46 @@
    "metadata": {},
    "outputs": [],
    "source": [
-    "plotrops(bsol,\"OH\",tol=0.01)"
+    "plotthermoadjointsensitivities(bsol,\"H2\",dps)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "plotrateadjointsensitivities(bsol,\"H2\",dps)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "#Forward Sensitivities\n",
+    "react2 = Reactor(domain,y0,(0.0,150.1);p=p,forwardsensitivities=true);\n",
+    "sol2 = solve(react2.ode,CVODE_BDF(),abstol=1e-20,reltol=1e-6);\n",
+    "bsol2 = Simulation(sol,domain);"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "plotmaxthermoforwardsensitivity(bsol2,\"H2\")"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "plotmaxrateforwardsensitivity(bsol2,\"H2\")"
    ]
   },
   {
@@ -120,15 +162,15 @@
    "lastKernelId": null
   },
   "kernelspec": {
-   "display_name": "Julia 1.1.0",
+   "display_name": "Julia 1.3.0",
    "language": "julia",
-   "name": "julia-1.1"
+   "name": "julia-1.3"
   },
   "language_info": {
    "file_extension": ".jl",
    "mimetype": "application/julia",
    "name": "julia",
-   "version": "1.1.0"
+   "version": "1.3.0"
   }
  },
  "nbformat": 4,