Why ode45 can not solve while ode15s can solve?

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Jidapa Adam
Jidapa Adam am 18 Mär. 2022
Kommentiert: Steven Lord am 18 Mär. 2022
My code can solve with ode15s but I would like to try on ode45, So can I use RelTol with value 1e-8 or can you give me other value of RelTol?
P0 = [0.5] ;%bar (Intial pressure)
Ta0 = [873] ;%K (Intial air heat temperature)
repeat = [1] ;%Repeat condition Ta constant and Ta non constant
sheet = 0 ;%Sheet in excel
condition = 0 ;%Number of condition
for a = 1:length(repeat)
for i = 1:length(P0)
for j = 1:length(Ta0)
T0 = Ta0(j) ;%K (Intial temperature before entering bed)
pj0 = yj0.*P0(i) ;%bar (Partial pressure)
Fj0 = (pj0.*v0_feed)./(R_feed.*T0) ;%mol/s (Molar flowrate)
Lspan = [0:0.01:0.03] ;%m (Bed length range)
dep_var0 = [Fj0' T0 Ta0(j)] ;%[mol/s,K,K] (Intial dependent variable)
condition = condition + 1 ;
var = [P0(i) Ta0(j) condition T0] ;%[bar,K,-,K] (Another variable that nessery)
options = odeset('RelTol',1e-3);
[L ,dep_var] = ode45(@func_NiCo,Lspan,dep_var0,options,var) ;
  2 Kommentare
Walter Roberson
Walter Roberson am 18 Mär. 2022
What happened when you tried with ode45?
Note: in order for us to test we would need your func_NiCo as well
Jidapa Adam
Jidapa Adam am 18 Mär. 2022
When I run ode45 it doesn't stop running and when I change RelTol value to 1e-1 the result is complex number.
load Data_import_NiCo
P0 = [0.5] ;%bar (Intial pressure)
Ta0 = [873] ;%K (Intial air heat temperature)
repeat = [1] ;%Repeat condition Ta constant and Ta non constant
sheet = 0 ;%Sheet in excel
condition = 0 ;%Number of condition
for a = 1:length(repeat)
for i = 1:length(P0)
for j = 1:length(Ta0)
T0 = Ta0(j) ;%K (Intial temperature before entering bed)
pj0 = yj0.*P0(i) ;%bar (Partial pressure)
Fj0 = (pj0.*v0_feed)./(R_feed.*T0) ;%mol/s (Molar flowrate)
Lspan = [0:0.01:0.03] ;%m (Bed length range)
dep_var0 = [Fj0' T0 Ta0(j)] ;%[mol/s,K,K] (Intial dependent variable)
condition = condition + 1 ;
var = [P0(i) Ta0(j) condition T0] ;%[bar,K,-,K] (Another variable that nessery)
options = odeset('RelTol',1e-3);
[L ,dep_var] = ode45(@func_NiCo,Lspan,dep_var0,options,var) ;
this is func_NiCo
function dydx = func_NiCo(y,x,op)
load Data_import_NiCo
FCH4 = x(1,1) ;
FCO2 = x(2,1) ;
FCO = x(3,1) ;
FH2 = x(4,1) ;
FH2O = x(5,1) ;
FC = x(6,1) ;
FN2 = x(7,1) ;
T = x(8,1) ;
Ta = x(9,1) ;
P0 = op(1) ;%bar (Intial pressure)
Tac = op(2) ;%K (Intial air heat temperature constant)
condition = op(3) ;
T0 = op(4) ;%K (Intial temperature)
FT = FCH4+FCO2+FCO+FH2+FH2O+FC+FN2 ;%mol/s (Total molar flowrate)
%% Partial pressure (bar)
pCH4 = P0*(FCH4/FT)*(T0/T) ;
pCO2 = P0*(FCO2/FT)*(T0/T) ;
pCO = P0*(FCO/FT)*(T0/T) ;
pH2 = P0*(FH2/FT)*(T0/T) ;
pH2O = P0*(FH2O/FT)*(T0/T) ;
pC = P0*(FC/FT)*(T0/T) ;
pN2 = P0*(FN2/FT)*(T0/T) ;
%% Heat capacity (J/(mol*K))
cpj = heatcp(:,1) + heatcp(:,2)*T + heatcp(:,3)*(T^2) + heatcp(:,4)*(T^-2) ;
%% Del_Heat of reaction
delH1 = hrxi_Tr(1)+((2.*cpj(3)+2*cpj(4)-cpj(1)-cpj(2)).*(T-Tr)) ;
delH2 = hrxi_Tr(2)+((cpj(3)+cpj(5)-cpj(2)-cpj(4)).*(T-Tr)) ;
delH3 = hrxi_Tr(3)+((cpj(6)+2.*cpj(4)-cpj(1)).*(T-Tr)) ;
delH4 = hrxi_Tr(4)+((cpj(3)+cpj(4)-cpj(5)-cpj(6)).*(T-Tr)) ;
delH5 = hrxi_Tr(5)+((2*cpj(3)-cpj(6)-cpj(2)).*(T-Tr)) ;
%% Reaction rate constant (mol/(kg*s))
ki = k0i.*exp(-Eai./T) ;
%% Equilibrium constant
Kpi = Kp0i.*exp(-dHrxi_Tr./T) ;%[bar^2,-,bar,bar,bar]
%% Adsorption equilibrium constant
KCH4_1 = K0j1(1)*exp(hdx1(1)/T) ;%mol/(kg*s*bar)
KCO2_1 = K0j1(2)*exp(hdx1(2)/T) ;%mol/(kg*s*bar)
KCO2_2 = K0j2(2)*exp(hdx2(2)/T) ;%bar^-1
KH2_2 = K0j2(4)*exp(hdx2(4)/T) ;%bar^-1
KCH4_3 = K0j3(1)*exp(hdx3(1)/T) ;%bar^-1
KH2_3 = K0j3(4)*exp(hdx3(4)/T) ;%bar^1.5
KCH4_4 = K0j4(1)*exp(hdx4(1)/T) ;%bar^-1
KH2_4 = K0j4(4)*exp(hdx4(4)/T) ;%bar^1.5
KH2O_4 = K0j4(5)*exp(hdx4(5)/T) ;%-
KCO2_5 = K0j5(2)*exp(hdx5(2)/T) ;%bar
KCO_5 = K0j5(3)*exp(hdx5(3)/T) ;%bar^-1
%% Rate reaction (mol/(kg*s)
r1 = ((ki(1)*pCH4*pCO2)/(KCO2_1*pCO2+KCH4_1*pCH4))*(1-(((pCO*pH2)^2)/(Kpi(1)*pCH4*pCO2))) ;
r2 = ((ki(2)*KCO2_2*KH2_2*pCO2*pH2)/((1+KCO2_2*pCO2+KH2_2*pH2)^2))*(1-((pCO*pH2O)/(Kpi(2)*pCO2*pH2))) ;
r3 = ((ki(3)*KCH4_3)*(pCH4-((pH2^2)/Kpi(3))))/((1+KCH4_3*pCH4+(pH2^1.5/KH2_3))^2) ;
r4 = ((ki(4)/KH2O_4)*((pH2O/pH2)-(pCO/Kpi(4))))/((1+KCH4_4*pCH4+(pH2O/(KH2O_4*pH2))+(pH2^1.5/KH2_4))^2) ;
r5 = ((ki(5)/(KCO_5*KCO2_5))*((pCO2/pCO)-(pCO/Kpi(5))))/((1+KCO_5*pCO+(pCO2/(KCO_5*KCO2_5*pCO)))^2) ;
%% rnet of species (mol/(kg*s))
rn_CH4 = -r1-r3 ;
rn_CO2 = -r1-r2-r5 ;
rn_CO = 2*r1+r2+r4+2*r5 ;
rn_H2 = 2*r1-r2+2*r3+r4 ;
rn_H2O = r2-r4 ;
rn_C = r3-r4-r5 ;
rn_N2 = 0 ;
%%
sumFjcpj = FCH4*cpj(1)+ FCO2*cpj(2)+ FCO*cpj(3)+ FH2*cpj(4)+ FH2O*cpj(5)+ FC*cpj(6)+ FN2*cpj(7) ;%Watt/K
sumrihi = r1*-delH1+ r2*-delH2+ r3*-delH3+ r4*-delH4+ r5*-delH5 ;%Watt/kg
%% ODE equations
dFCH4dL = Rho_bed*Ac*rn_CH4 ;%mol/(m*s)
dFCO2dL = Rho_bed*Ac*rn_CO2 ;%mol/(m*s)
dFCOdL = Rho_bed*Ac*rn_CO ;%mol/(m*s)
dFH2dL = Rho_bed*Ac*rn_H2 ;%mol/(m*s)
dFH2OdL = Rho_bed*Ac*rn_H2O ;%mol/(m*s)
dFCdL = 0 ;%mol/(m*s)
dFN2dL = Rho_bed*Ac*rn_N2 ;%mol/(m*s)
if condition <= 6
dTdL = ((Rho_bed*Ac*sumrihi)-(U*ain*Ac*(T-Tac)))/sumFjcpj ;%K/m
dTadL = 0 ;%K/m
else
dTdL = ((Rho_bed*Ac*sumrihi)-(U*ain*Ac*(T-Ta)))/sumFjcpj ;%K/m
dTadL = (U*aout*Ac_air*(T-Ta))/(mc_air*cpj(8)) ;%K/m
end
%% Calculations
dydx(1,1) = dFCH4dL ;
dydx(2,1) = dFCO2dL ;
dydx(3,1) = dFCOdL ;
dydx(4,1) = dFH2dL ;
dydx(5,1) = dFH2OdL ;
dydx(6,1) = dFCdL ;
dydx(7,1) = dFN2dL ;
dydx(8,1) = dTdL ;
dydx(9,1) = dTadL ;
end

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Akzeptierte Antwort

Walter Roberson
Walter Roberson am 18 Mär. 2022
You have a "stiff" system of equations. The equations wobble a lot and ode45 has to take very small steps to try to follow the wobbles because they might be important.
  4 Kommentare
Walter Roberson
Walter Roberson am 18 Mär. 2022
Bearbeitet: Walter Roberson am 18 Mär. 2022
You can fix the problem by stopping interrupting ode45 and let it run the several years it needs to calculate the system properly.
(It is not a bug.)
Steven Lord
Steven Lord am 18 Mär. 2022
If you're not familiar with stiffness in ODEs I recommend reading through this post on Cleve Moler's blog. Run at least the one example Cleve recommends running and read his explanation for its performance.

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