# Size of variable arrays: sizeAlgebraic = 2 sizeStates = 2 sizeConstants = 8 from math import * from numpy import * def createLegends(): legend_states = [""] * sizeStates legend_rates = [""] * sizeStates legend_algebraic = [""] * sizeAlgebraic legend_voi = "" legend_constants = [""] * sizeConstants legend_constants[6] = "k2 in component moussa (per_sec)" legend_constants[7] = "k1 in component moussa (per_sec)" legend_states[0] = "X1 in component moussa (conc)" legend_states[1] = "X2 in component moussa (conc)" legend_voi = "time in component moussa (second)" legend_algebraic[0] = "A in component moussa (conc)" legend_algebraic[1] = "D in component moussa (conc)" legend_constants[0] = "R in component moussa (gas_constant)" legend_constants[1] = "E1 in component moussa (J_per_mole)" legend_constants[2] = "E2 in component moussa (J_per_mole)" legend_constants[3] = "A1 in component moussa (per_sec)" legend_constants[4] = "A2 in component moussa (per_sec)" legend_constants[5] = "T in component moussa (kelvin)" legend_rates[0] = "d/dt X1 in component moussa (conc)" legend_rates[1] = "d/dt X2 in component moussa (conc)" return (legend_states, legend_algebraic, legend_voi, legend_constants) def initConsts(): constants = [0.0] * sizeConstants; states = [0.0] * sizeStates; states[0] = 1 states[1] = 0 constants[0] = 8.3 constants[1] = 2.5E5 constants[2] = 1.28E5 constants[3] = 0.0683E38 constants[4] = 0.0283E19 constants[5] = 325 constants[6] = constants[4]*exp(-constants[2]/(constants[0]*constants[5])) constants[7] = constants[3]*exp(-constants[1]/(constants[0]*constants[5])) return (states, constants) def computeRates(voi, states, constants): rates = [0.0] * sizeStates; algebraic = [0.0] * sizeAlgebraic rates[0] = -constants[7]*states[0] rates[1] = constants[7]*states[0]-constants[6]*states[1] return(rates) def computeAlgebraic(constants, states, voi): algebraic = array([[0.0] * len(voi)] * sizeAlgebraic) states = array(states) voi = array(voi) algebraic[0] = states[0]+states[1] algebraic[1] = 1.00000-algebraic[0] return algebraic def solve_model(): """Solve model with ODE solver""" from scipy.integrate import ode # Initialise constants and state variables (init_states, constants) = initConsts() # Set timespan to solve over voi = linspace(0, 10, 500) # Construct ODE object to solve r = ode(computeRates) r.set_integrator('vode', method='bdf', atol=1e-06, rtol=1e-06, max_step=1) r.set_initial_value(init_states, voi[0]) r.set_f_params(constants) # Solve model states = array([[0.0] * len(voi)] * sizeStates) states[:,0] = init_states for (i,t) in enumerate(voi[1:]): if r.successful(): r.integrate(t) states[:,i+1] = r.y else: break # Compute algebraic variables algebraic = computeAlgebraic(constants, states, voi) return (voi, states, algebraic) def plot_model(voi, states, algebraic): """Plot variables against variable of integration""" import pylab (legend_states, legend_algebraic, legend_voi, legend_constants) = createLegends() pylab.figure(1) pylab.plot(voi,vstack((states,algebraic)).T) pylab.xlabel(legend_voi) pylab.legend(legend_states + legend_algebraic, loc='best') pylab.show() if __name__ == "__main__": (voi, states, algebraic) = solve_model() plot_model(voi, states, algebraic)