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
