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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
; M2 \ h' L1 L7 [% k1->k-1,k2->k1,k3->k2,k4->k3,k5->k4
: L+ t" x! N/ P. n7 [. {% k6->k6 k7->k7
) y% a B0 P6 c3 }+ d4 a: b8 M% dGlcdt = k-1*C(Fru)-(k1+k2)*C(Glc);
? U/ ]& P8 r+ w0 L4 x' e% dFrudt = k1*C(Glc)-(k-1+k3+k4)C(Fru);
+ }7 @. g6 ]; P% dFadt = k(2)*C(Glc)+k4*C(Fru)+(k6+k7)*C(Hmf);' B o0 ?& S( p
% dLadt = k(7)*C(Hmf);
6 k# z+ C+ O' ^/ X8 o8 P0 ~%dHmfdt = k(3)*C(Fru)-(k6+k7)*C(Hmf);
5 T* T' {; b/ G+ M' ?clear all
, Q" Y) D6 Z+ {4 Pclc
7 L/ |' E4 M" q1 W, C- A- yformat long/ Q" x5 m, g6 U) `! `5 C
% t/min Glc Fru Fa La HMF/ mol/L
' z# Q+ X! \2 I( ?* c. ^% j Kinetics=[0 0.25 0 0 0 0- |- y, E/ [7 Y4 C
15 0.2319 0.01257 0.0048 0 2.50E-04% w7 w8 N& C e+ t" {& B8 c
30 0.19345 0.027 0.00868 0 7.00E-044 K3 w& D: ^# h2 {: {4 V7 a \5 a
45 0.15105 0.06975 0.02473 0 0.0033
8 m: m( n$ h' q& _6 F 60 0.13763 0.07397 0.02615 0 0.00428
+ M9 f, v% H0 D) F# P 90 0.08115 0.07877 0.07485 0 0.01405
1 i0 A5 |( E E: N 120 0.0656 0.07397 0.07885 0.00573 0.02143
' g8 f" S5 G0 g- l 180 0.04488 0.0682 0.07135 0.0091 0.03623
- \! s. x: c- M9 e! y 240 0.03653 0.06488 0.08945 0.01828 0.054525 Q/ b1 v6 i5 a3 c
300 0.02738 0.05448 0.09098 0.0227 0.0597
" A1 ], I4 l9 h( V# Y 360 0.01855 0.04125 0.09363 0.0239 0.06495];
' B! {" g0 u( Zk0 = [0.0000000005 0.0000000005 0.0000000005 0.00000000005 0.00005 0.0134 0.00564 0.00001 0.00001 0.00001]; % 参数初值3 }: M4 K6 l$ ^. U
lb = [0 0 0 0 0 0 0 0 0 0]; % 参数下限0 Z; |6 A2 H" {' A t
ub = [1 1 1 1 1 1 1 1 1 1]; % 参数上限+ x3 b$ f1 Z- d3 y$ J. v* g0 z
x0 = [0.25 0 0 0 0];4 \2 r5 x% J4 f, \) J/ _3 x
yexp = Kinetics; % yexp: 实验数据[x1 x4 x5 x6], _1 V, X$ v) a s6 k5 X' C
% warning off
% X M! B/ A( B4 V% 使用函数 ()进行参数估计. q% ]' R! r7 S" i
[k,fval,flag] = fmincon(@ObjFunc7Fmincon,k0,[],[],[],[],lb,ub,[],[],x0,yexp);# u _# ? C% e5 H: }- L
fprintf('\n使用函数fmincon()估计得到的参数值为:\n')
\" m+ F' T& q& o9 ~5 }fprintf('\tk1 = %.11f\n',k(1))
/ V1 _% S/ A- T, w: A4 Dfprintf('\tk2 = %.11f\n',k(2))8 S$ h1 ]8 S/ N( W1 O
fprintf('\tk3 = %.11f\n',k(3))8 r. V, O; f/ @' d1 Q0 c( U( ]
fprintf('\tk4 = %.11f\n',k(4))
* { a4 E9 ]; N( |( \6 Yfprintf('\tk5 = %.11f\n',k(5))8 V- v: h' w' R
fprintf('\tk6 = %.11f\n',k(6))% a' r( |) O3 ~1 V! B
fprintf('\tk7 = %.11f\n',k(7))$ s* d0 I. |+ [+ H6 M0 g
fprintf('\tk8 = %.11f\n',k(8))1 A% a9 Z, `6 v3 Z" z. p
fprintf('\tk9 = %.11f\n',k(9))
, Z- j, y/ G/ ]9 Lfprintf('\tk10 = %.11f\n',k(10))- F* x% C. u C7 S: V% y" n
fprintf(' The sum of the squares is: %.1e\n\n',fval)0 k" l w0 k- |. j% ^; W+ ]9 S
k_fm= k;
2 Q- J2 o# j4 L% warning off/ R% t5 k0 E/ t. w
% 使用函数lsqnonlin()进行参数估计. o. V+ g$ s7 Q
[k,resnorm,residual,exitflag,output,lambda,jacobian] = ...
1 x( c) n6 p9 [: Z6 G lsqnonlin(@ObjFunc7LNL,k0,lb,ub,[],x0,yexp); ( g1 _. l0 ]& o0 _3 x. p f
ci = nlparci(k,residual,jacobian);
$ X% x- E* W0 x: I4 t, T/ L3 wfprintf('\n\n使用函数lsqnonlin()估计得到的参数值为:\n')
$ l6 f+ N3 c: Y4 O7 D! c0 ofprintf('\tk1 = %.11f\n',k(1))
( l7 g) ^. r" F" J2 G% W. C8 Yfprintf('\tk2 = %.11f\n',k(2))" v- R. d0 D8 t$ A% e4 p
fprintf('\tk3 = %.11f\n',k(3))
! Q- a- g. K8 i; gfprintf('\tk4 = %.11f\n',k(4))2 Q: \2 V! O& N- }: ], h- k
fprintf('\tk5 = %.11f\n',k(5))8 v" G5 V$ f; s, r* \2 Z9 K/ z( }
fprintf('\tk6 = %.11f\n',k(6))
6 @0 r Q; f* t6 ]8 `fprintf('\tk7 = %.11f\n',k(7))
- x( E) c. R1 C, Zfprintf('\tk8 = %.11f\n',k(8))- R9 H q3 k B. @5 G6 L% z* D" k
fprintf('\tk9 = %.11f\n',k(9))
8 S( p& q- |. h. w1 Rfprintf('\tk10 = %.11f\n',k(10))
]1 ^; t( k& u1 q( Ofprintf(' The sum of the squares is: %.1e\n\n',resnorm)
1 N' Y8 i+ y: f- I7 O2 f) }' V- [' Kk_ls = k;
# @0 |8 q! k# z! f2 {" ?output
: d" X+ o- E4 b) k2 ~# ?" ^warning off) o, u/ y* ~( y# e3 l& a$ l
% 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
$ N9 I$ F5 F! J7 |% F2 {. Q# Ck0 = k_fm;
7 L/ G6 M1 z% U6 J: @% h[k,resnorm,residual,exitflag,output,lambda,jacobian] = ...& ]3 |$ a/ p* B5 c& P0 d
lsqnonlin(@ObjFunc7LNL,k0,lb,ub,[],x0,yexp);
$ y* |: d+ C8 z5 [+ wci = nlparci(k,residual,jacobian);, g" P0 k) f9 d4 y: M5 d. H
fprintf('\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')& Y" ^; a; p h6 S
fprintf('\tk1 = %.11f\n',k(1))/ P9 B1 N9 ^" X4 H5 p8 z+ h6 t8 I
fprintf('\tk2 = %.11f\n',k(2))9 m* y/ ^, {5 B% p8 D
fprintf('\tk3 = %.11f\n',k(3)); }- a! p* ?& v
fprintf('\tk4 = %.11f\n',k(4)) w9 j0 r+ T. Y/ o, u$ c
fprintf('\tk5 = %.11f\n',k(5))
5 h- G/ s8 D+ Q5 \# k# V F9 R- `fprintf('\tk6 = %.11f\n',k(6))
) Y& c% d* U: x" @4 ]fprintf('\tk7 = %.11f\n',k(7))& X- p' G% |. h# ^0 \) ~6 }) W
fprintf('\tk8 = %.11f\n',k(8))
3 x- y9 s; p/ R# J8 dfprintf('\tk9 = %.11f\n',k(9))) c' ^3 I" k+ A. x& t: }1 d8 V4 s
fprintf('\tk10 = %.11f\n',k(10))# s/ \( A6 f; k8 y
fprintf(' The sum of the squares is: %.1e\n\n',resnorm). f+ U; k- j7 I0 K. h1 j+ k k
k_fmls = k;3 [5 \+ C. |/ o9 V
output7 Y- W2 {$ b8 ]( S
tspan = [0 15 30 45 60 90 120 180 240 300 360];
. f! d! w" T" k; P! h) m+ @) \[t x] = ode45(@KineticEqs,tspan,x0,[],k_fmls); ; J: S( T. i3 J! f
figure;
! k6 |3 K1 g3 f" N1 z; }plot(t,x(:,1),t,yexp(:,2),'*');legend('Glc-pr','Glc-real')7 P* z) Y# l7 U1 n7 k
figure;plot(t,x(:,2:5));
p* \6 m) X/ o o: }" Zp=x(:,1:5)
* b5 E9 g. h, n( yhold on: R) N( X8 l' a( o( e( c) L) V
plot(t,yexp(:,3:6),'o');legend('Fru-pr','Fa-pr','La-pr','HMF-pr','Fru-real','Fa-real','La-real','HMF-real')4 I+ l5 E; t J3 e3 j$ n5 x$ p
7 g; H/ P- M! ?" s2 J9 z
' }7 ` P5 X C0 D
/ A" B! z, E6 tfunction f = ObjFunc7LNL(k,x0,yexp)0 D1 t0 W1 T6 h H
tspan = [0 15 30 45 60 90 120 180 240 300 360];
* J" q, X( b3 S$ n) k( d# I; ~[t, x] = ode45(@KineticEqs,tspan,x0,[],k); # q( W! A2 p5 H7 v
y(:,2) = x(:,1);
* K, O! ], }) k1 qy(:,3:6) = x(:,2:5);
6 [# ?9 I, a- Gf1 = y(:,2) - yexp(:,2);
. z1 `2 P( ^; I( @( k4 k: `& \/ ef2 = y(:,3) - yexp(:,3);
$ A) s5 A8 ?; o6 U9 Rf3 = y(:,4) - yexp(:,4);
( ?' v Y# L# b# `f4 = y(:,5) - yexp(:,5);
+ F! I9 {3 P0 b2 @f5 = y(:,6) - yexp(:,6);4 f2 |7 F1 ]8 M* }( N+ a/ Z. U
f = [f1; f2; f3; f4; f5];
6 g1 u+ H% g7 N4 e5 g
" X) T) R+ ~: J" J" z p8 A1 }' I0 h1 a, Z# y5 y& F
1 X, O2 _* A7 p) p8 C
function f = ObjFunc7Fmincon(k,x0,yexp)
' U- D I$ p; E6 B2 p4 p$ ztspan = [0 15 30 45 60 90 120 180 240 300 360];0 ]% a0 }% u0 a5 m7 m
[t x] = ode45(@KineticEqs,tspan,x0,[],k);
5 j* Z: {9 t- `: n8 h0 `: k# Wy(:,2) = x(:,1);
1 z/ z- s5 A" My(:,3:6) = x(:,2:5);
' w, V* D+ L9 ?' @) b7 Nf = sum((y(:,2)-yexp(:,2)).^2) + sum((y(:,3)-yexp(:,3)).^2) ...
0 g6 L; k& g. M; c3 P/ ] + sum((y(:,4)-yexp(:,4)).^2) + sum((y(:,5)-yexp(:,5)).^2) ...7 l9 M$ s5 v5 ]5 H- X
+ sum((y(:,6)-yexp(:,6)).^2) ;8 s. ]8 g/ ?4 g5 p. `" n8 {
: z! k' e5 v. g( t* E7 o! t: L5 T5 e
1 l' f% i/ D9 I" O% A, ^6 ~+ X' p0 [6 j- [1 U) L; y
+ s) G' U) z* X! C% G! }9 f
function dxdt = KineticEqs(t,x,k)
' W+ L: P' `5 J: |+ {* CdGldt = k(1)*x(2)-(k(2)+k(3)+k(8))*x(1);3 o3 o L- L; J
dFrdt = k(2)*x(1)-(k(1)+k(4)+k(5)+k(9))*x(2);
: O6 `4 J$ _3 p) N( G7 v$ mdFadt = k(3)*x(1)+k(5)*x(2)+(k(6)+k(7))*x(5);
0 J+ {2 E6 ]! adLadt = k(7)*x(5);
" A9 C( ]7 ^5 a: j, s7 ZdHmdt = k(4)*x(2)-(k(6)+k(7)+k(10))*x(5);7 Q7 R; u3 O- J7 B# l/ A1 \2 N0 U& u1 {
dxdt = [dGldt; dFrdt; dFadt; dLadt; dHmdt];4 p* [3 t; u' s5 _. _. L% @
' u% |- i+ s' M
8 [' A) a! i2 @) G, d: u! ^- t |
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