def dTdt(T, mu0, E, UA, k9, deg_poly, k10, x_link, q, k11): from visc_torque_eq import mu R = 8.314 m = 0.5 Cp = 900. T_inf = 200. return (UA/(m*Cp))*(T_inf - T) + k11*mu(mu0, E, R, T, k9, deg_poly, k10, x_link, q)
def dTdt(T, mu0, E, UA, k9, deg_poly, k10, x_link, q, k11): from visc_torque_eq import mu R = 8.314 m = 0.5 Cp = 900. T_inf = 200. return (UA / (m * Cp)) * (T_inf - T) + k11 * mu(mu0, E, R, T, k9, deg_poly, k10, x_link, q)
def model_curves(p, time): from numpy import linspace, array, append, squeeze, zeros from scipy.integrate import odeint from model_parameters import unpack_parameters #unpack parameter values from parameter structure para = unpack_parameters(p) k1, k2, k3, k4, k5, k6, k7, k8, k9, k10, k11, UA, mu_0, E, q, prim_stab_0, LDH_0 = para # temperature curve parameters R = 8.314 # initial concentrations HCl_0 = 0. poly_act_0 = 5. # initial temperatures T_0 = 125. Tm_0 = 200. from rxn_rates import r1, r2, r3, r4, r5, r6 from visc_torque_eq import mu, torque from temp_der import dTdt, dTmdt # differential equations def dXdt(A, time): HCl, LDH, poly_act, radical, prim_stab, deg_poly, x_link, T, Tm = A r = array([ r1(k3, HCl, LDH), r2(k4, HCl, poly_act), r3(k5, poly_act), r4(k6, radical, prim_stab), r5(k7, radical), r6(k8, radical) ]) return append(squeeze(stoyk().T.dot(r)), [ dTdt(T, mu_0, E, UA, k9, deg_poly, k10, x_link, q, k11), dTmdt(T, Tm, k2) ]) A_0 = array([HCl_0, LDH_0, poly_act_0, 0., prim_stab_0, 0., 0., T_0, Tm_0]) soln = odeint(dXdt, A_0, time) HCl = soln[:, 0] LDH = soln[:, 1] poly_act = soln[:, 2] radical = soln[:, 3] prim_stab = soln[:, 4] deg_poly = soln[:, 5] x_link = soln[:, 6] T = soln[:, 7] Tm = soln[:, 8] mu_V = zeros(len(time)) torque_V = zeros(len(time)) for i in range(0, len(time)): mu_V[i] = mu(mu_0, E, R, T[i], k9, deg_poly[i], k10, x_link[i], q) torque_V[i] = torque(k1, mu_V[i]) return HCl, LDH, poly_act, radical, prim_stab, deg_poly, x_link, T, Tm, mu_V, torque_V
def model_curves(p, time): from numpy import linspace, array, append, squeeze, zeros from scipy.integrate import odeint from model_parameters import unpack_parameters #unpack parameter values from parameter structure para = unpack_parameters(p) k1, k2, k3, k4, k5, k6, k7, k8, k9, k10, k11, UA, mu_0, E, q, prim_stab_0, LDH_0 = para # temperature curve parameters R = 8.314 # initial concentrations HCl_0 = 0. poly_act_0 = 5. # initial temperatures T_0 = 125. Tm_0 = 200. from rxn_rates import r1, r2, r3, r4, r5, r6 from visc_torque_eq import mu, torque from temp_der import dTdt, dTmdt # differential equations def dXdt(A, time): HCl, LDH, poly_act, radical, prim_stab, deg_poly, x_link, T, Tm = A r = array([r1(k3, HCl, LDH), r2(k4, HCl, poly_act), r3(k5, poly_act), r4(k6, radical, prim_stab), r5(k7, radical), r6(k8, deg_poly)]) return append(squeeze(stoyk().T.dot(r)), [dTdt(T, mu_0, E, UA, k9, deg_poly, k10, x_link, q, k11), dTmdt(T, Tm, k2)] ) A_0 = array([HCl_0, LDH_0, poly_act_0, 0., prim_stab_0, 0., 0., T_0, Tm_0]) soln = odeint(dXdt, A_0, time) HCl = soln[:, 0] LDH = soln[:, 1] poly_act = soln[:, 2] radical = soln[:, 3] prim_stab = soln[:, 4] deg_poly = soln[:, 5] x_link = soln[:, 6] T = soln[:, 7] Tm = soln[:, 8] mu_V = zeros(len(time)) torque_V = zeros(len(time)) for i in range(0,len(time)): mu_V[i] = mu(mu_0, E, R, T[i], k9, deg_poly[i], k10, x_link[i], q) torque_V[i] = torque(k1, mu_V[i]) return HCl, LDH, poly_act, radical, prim_stab, deg_poly, x_link, T, Tm, mu_V, torque_V