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升级   87.37% TA的每日心情 | 无聊 2015-10-10 18:19 |
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签到天数: 24 天 [LV.4]偶尔看看III
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10体力
function parafit
0 G" T: X0 O4 A7 p7 b% k1->k-1,k2->k1,k3->k2,k4->k3,k5->k45 Z/ L# r7 Q2 y6 r9 ?7 G1 D
% k6->k6 k7->k7
+ L/ G' L0 p+ E* O! O' a% dGlcdt = k-1*C(Fru)-(k1+k2)*C(Glc);3 a) @$ ~7 b8 B7 |/ k% ^
% dFrudt = k1*C(Glc)-(k-1+k3+k4)C(Fru);: v. i& J2 [! x
% dFadt = k(2)*C(Glc)+k4*C(Fru)+(k6+k7)*C(Hmf);0 Q7 X. J% ]. w
% dLadt = k(7)*C(Hmf);: R1 }' i" E- [/ M! t" M8 q" ?( I3 t
%dHmfdt = k(3)*C(Fru)-(k6+k7)*C(Hmf);. `. f: a. r$ J/ s$ x* Z5 u! Y
clear all, H- C8 k) c" r) N7 j$ j
clc! H: k% W3 ]5 |9 \4 F
format long
( E2 o/ w' {" v5 |. t" e; L% t/min Glc Fru Fa La HMF/ mol/L * |' w& a) D4 A# @: H$ ~/ ` a* d
Kinetics=[0 0.25 0 0 0 0
3 x, O" }0 G4 R! g! \ 15 0.2319 0.01257 0.0048 0 2.50E-043 L# A. Z3 O0 d' w, j
30 0.19345 0.027 0.00868 0 7.00E-04
5 v7 J) V( e* x3 Q& g 45 0.15105 0.06975 0.02473 0 0.0033: `' i* h6 M9 k$ J
60 0.13763 0.07397 0.02615 0 0.00428$ G% X% r$ A' h% N# U
90 0.08115 0.07877 0.07485 0 0.014053 R+ g0 H9 T# I d8 g9 P; i) k
120 0.0656 0.07397 0.07885 0.00573 0.02143
; C6 T) S/ q7 L 180 0.04488 0.0682 0.07135 0.0091 0.03623" q0 x' H9 P- d3 p7 C
240 0.03653 0.06488 0.08945 0.01828 0.05452) k z: R- o. _9 t. k' f- }
300 0.02738 0.05448 0.09098 0.0227 0.0597
7 h# e9 H- r5 _# M' ~ 360 0.01855 0.04125 0.09363 0.0239 0.06495];
; q: J) p8 D5 \6 G0 ~k0 = [0.0000000005 0.0000000005 0.0000000005 0.00000000005 0.00005 0.0134 0.00564 0.00001 0.00001 0.00001]; % 参数初值
+ Z/ |- K5 n% h" B6 F. O: \% klb = [0 0 0 0 0 0 0 0 0 0]; % 参数下限. c! T9 Q4 T/ y
ub = [1 1 1 1 1 1 1 1 1 1]; % 参数上限/ y' G. v) S- {0 @# z3 Q# t8 j
x0 = [0.25 0 0 0 0];. z1 U6 s! b7 x* S- p
yexp = Kinetics; % yexp: 实验数据[x1 x4 x5 x6]8 z, h/ c& J( l- X
% warning off
! u( S! G R" K# g* o1 m- C% 使用函数 ()进行参数估计; z; W. i/ Z; e& x4 r
[k,fval,flag] = fmincon(@ObjFunc7Fmincon,k0,[],[],[],[],lb,ub,[],[],x0,yexp);% ?# z' d6 b8 p
fprintf('\n使用函数fmincon()估计得到的参数值为:\n')- e! r, v8 X8 s/ ]* j5 ]- Q, L
fprintf('\tk1 = %.11f\n',k(1))& V8 h$ ]1 e( ?6 n
fprintf('\tk2 = %.11f\n',k(2))% n& o- g D# J7 M( ?( Y; s( R
fprintf('\tk3 = %.11f\n',k(3))
* {# I# ]# k# _% D w3 F, Q% nfprintf('\tk4 = %.11f\n',k(4))1 @0 k) O: L& v8 x+ D$ L
fprintf('\tk5 = %.11f\n',k(5))
7 J/ T0 J5 ?2 W/ i6 H$ |fprintf('\tk6 = %.11f\n',k(6)): I, `* \' A% i2 D0 e7 z
fprintf('\tk7 = %.11f\n',k(7))
1 a. L+ E' I, r) {fprintf('\tk8 = %.11f\n',k(8)): T* d0 _8 u9 K6 d* n3 a
fprintf('\tk9 = %.11f\n',k(9))
. M# S. E/ S2 A+ \0 g& G+ p& K1 wfprintf('\tk10 = %.11f\n',k(10))
! t3 c. V2 E8 ~% Z. C" X" Efprintf(' The sum of the squares is: %.1e\n\n',fval)
7 a# h& U. o! E" Y' ]" J3 ^k_fm= k;
3 i$ M/ Q. `: V0 x% warning off
) m: q0 \8 {4 A d: d1 P- J% 使用函数lsqnonlin()进行参数估计/ o3 N1 D* n- n: D; p' V
[k,resnorm,residual,exitflag,output,lambda,jacobian] = ...: J) h3 E/ M; }
lsqnonlin(@ObjFunc7LNL,k0,lb,ub,[],x0,yexp);
. n% w" z+ \* s% yci = nlparci(k,residual,jacobian);4 I% H- k" S# W) X$ {
fprintf('\n\n使用函数lsqnonlin()估计得到的参数值为:\n')
) E* }. t* ]' X( efprintf('\tk1 = %.11f\n',k(1))
; Z, N2 }; v3 rfprintf('\tk2 = %.11f\n',k(2))
2 S8 ]% _9 b6 E, n! ?; n8 @fprintf('\tk3 = %.11f\n',k(3))
k h$ i ^; C5 T8 B" Rfprintf('\tk4 = %.11f\n',k(4))6 Z: O* l1 V, O
fprintf('\tk5 = %.11f\n',k(5))
) G! _0 I! @' q* w7 f: qfprintf('\tk6 = %.11f\n',k(6))4 H4 G) `( n, f3 w% Y7 b
fprintf('\tk7 = %.11f\n',k(7)): k' r5 M/ a: p8 m2 j' l g/ B t
fprintf('\tk8 = %.11f\n',k(8))5 `# r4 W' ~; U
fprintf('\tk9 = %.11f\n',k(9))# B$ t4 j, `9 p3 ~" X
fprintf('\tk10 = %.11f\n',k(10))
$ i0 p; U7 j6 J3 t& yfprintf(' The sum of the squares is: %.1e\n\n',resnorm)- P& y4 X- R0 U( q
k_ls = k;
. N. m2 |4 [- U/ g# P( w; koutput* P) v+ H' r! }8 T. y6 o
warning off9 F ~+ I# H m
% 以函数fmincon()估计得到的结果为初值,使用函数lsqnonlin()进行参数估计
% U) f N. |7 E' q& xk0 = k_fm;( Q& C* ~+ h) `7 ^7 l. I0 J- J4 e
[k,resnorm,residual,exitflag,output,lambda,jacobian] = ...
3 r8 L0 K( W9 _ lsqnonlin(@ObjFunc7LNL,k0,lb,ub,[],x0,yexp);
% R7 |3 \2 m. ~- x8 N4 yci = nlparci(k,residual,jacobian);
4 ?" Z0 x! _$ F- nfprintf('\n\n以fmincon()的结果为初值,使用函数lsqnonlin()估计得到的参数值为:\n'), }2 w n% c* C5 z" p- p
fprintf('\tk1 = %.11f\n',k(1))
* H2 Q1 Z8 d/ G7 }. Rfprintf('\tk2 = %.11f\n',k(2)); F! _- d& E7 p, |9 {
fprintf('\tk3 = %.11f\n',k(3))
$ i: z8 B! E$ ^/ i8 J3 zfprintf('\tk4 = %.11f\n',k(4))
3 K* V. B A6 [; S8 |9 Efprintf('\tk5 = %.11f\n',k(5))5 r7 L- m4 S% _% X1 H- ^2 f
fprintf('\tk6 = %.11f\n',k(6))5 J a6 a# G& E3 d7 K2 Z
fprintf('\tk7 = %.11f\n',k(7))/ u. U# m. p# Q; B) }( f' F' I0 k
fprintf('\tk8 = %.11f\n',k(8)). t- X5 L: Q" v* `+ F f/ r
fprintf('\tk9 = %.11f\n',k(9)). }. C6 c$ n- n7 i* o3 P" u
fprintf('\tk10 = %.11f\n',k(10))
% b4 V- e4 N5 O y# H! S, A1 g" pfprintf(' The sum of the squares is: %.1e\n\n',resnorm), O6 V5 ?+ b, ]$ q6 ?
k_fmls = k;
+ o9 P t3 l- ~9 o! Moutput
% G, ]( s; h: | Jtspan = [0 15 30 45 60 90 120 180 240 300 360];
0 K; M8 |+ Q/ M[t x] = ode45(@KineticEqs,tspan,x0,[],k_fmls); 0 ~$ E3 h8 ]0 O
figure;$ E: b# q8 O p" ^
plot(t,x(:,1),t,yexp(:,2),'*');legend('Glc-pr','Glc-real')5 ^" U# l M7 x
figure;plot(t,x(:,2:5));7 M6 |0 D% X& H5 X, E
p=x(:,1:5)
/ j3 m6 s/ P; Z4 M% Mhold on9 ?# S9 u! Q- S+ U8 v
plot(t,yexp(:,3:6),'o');legend('Fru-pr','Fa-pr','La-pr','HMF-pr','Fru-real','Fa-real','La-real','HMF-real')( k4 u/ A1 f$ y2 p/ n; T3 m$ \
! o1 l/ |/ r9 [- v" ]- g% r, W @$ Z# K9 u$ ]: u
% \8 Z2 H4 p. l9 Jfunction f = ObjFunc7LNL(k,x0,yexp)
. J2 i3 l( @, H& htspan = [0 15 30 45 60 90 120 180 240 300 360];6 ^6 S; D, t6 T* W# _: p
[t, x] = ode45(@KineticEqs,tspan,x0,[],k); ( z! x8 A) k1 f }1 R1 N8 W
y(:,2) = x(:,1);% O0 i$ _ q3 E( }- U
y(:,3:6) = x(:,2:5);
% L$ X/ i% w0 D# K0 o! H- y9 Sf1 = y(:,2) - yexp(:,2); ?, @! ]" \5 n( l5 P
f2 = y(:,3) - yexp(:,3);9 i# U8 I( K) g8 D
f3 = y(:,4) - yexp(:,4);, C# m* D+ j* ?! q. b6 q9 ^
f4 = y(:,5) - yexp(:,5);! P2 t/ Z6 i2 Q7 Q& s, I' ~
f5 = y(:,6) - yexp(:,6);
* W+ Q( g- P( ^' O# i7 Ef = [f1; f2; f3; f4; f5];, b, W K ?3 x) F; D. J
6 x; i6 {5 ?. ~0 u) ~/ f/ A* ]
& P! ~+ t7 `+ y: N4 Z
9 J" h! G( {7 o: D t2 a, s! xfunction f = ObjFunc7Fmincon(k,x0,yexp)
/ a0 r, V0 P% I. R: y! V8 {tspan = [0 15 30 45 60 90 120 180 240 300 360];
/ Q) q3 x' [# E6 q1 m8 z5 S[t x] = ode45(@KineticEqs,tspan,x0,[],k);
, Q) o! S5 ?6 G$ e5 ^y(:,2) = x(:,1);9 `; X- o% X& ?' ?! A3 l! g( g
y(:,3:6) = x(:,2:5);6 R: b3 ]- m$ I
f = sum((y(:,2)-yexp(:,2)).^2) + sum((y(:,3)-yexp(:,3)).^2) ...9 _: }) s3 F" u8 R
+ sum((y(:,4)-yexp(:,4)).^2) + sum((y(:,5)-yexp(:,5)).^2) ...% m* B6 Y8 v+ @. r+ x1 y2 C4 B( z& m
+ sum((y(:,6)-yexp(:,6)).^2) ;' h' E; l9 \% v! x
- P/ F2 ^4 B, Y: `0 G' P. [ L- C
4 i% D7 n1 ~! ^2 n2 g9 y0 y) s% n" f9 a1 G! ^, o) `
6 c& K3 ]* q* }$ `
function dxdt = KineticEqs(t,x,k)
2 N0 Y& L: f- q* }dGldt = k(1)*x(2)-(k(2)+k(3)+k(8))*x(1);
( W" y* x/ s6 b- W) i2 U, d% cdFrdt = k(2)*x(1)-(k(1)+k(4)+k(5)+k(9))*x(2);
' p' X' U e e+ t. d3 f" `9 ?: m* NdFadt = k(3)*x(1)+k(5)*x(2)+(k(6)+k(7))*x(5);
+ ^/ b7 b( E* x% M6 R* [dLadt = k(7)*x(5);0 p* G z* |/ m" W0 I& \) j9 {
dHmdt = k(4)*x(2)-(k(6)+k(7)+k(10))*x(5);: T! E, x" j* g8 O) I) L2 N
dxdt = [dGldt; dFrdt; dFadt; dLadt; dHmdt];
) `9 Y, ?$ q7 b/ X0 x5 [
, {% m5 j" p6 K) `4 C8 l8 l9 c+ H1 ], M
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