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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, u7 C0 ?# e- C. ~0 `
% k1->k-1,k2->k1,k3->k2,k4->k3,k5->k4" j( g, v Q1 y( y7 G4 `0 v
% k6->k6 k7->k7
* Y( e# s4 _. |& D. p4 E1 N% dGlcdt = k-1*C(Fru)-(k1+k2)*C(Glc);
+ e, K [1 G/ Y% A+ M% dFrudt = k1*C(Glc)-(k-1+k3+k4)C(Fru);4 W. n' t7 _) O( g6 L
% dFadt = k(2)*C(Glc)+k4*C(Fru)+(k6+k7)*C(Hmf);
$ j9 j/ Y; [# x f1 P& y0 Q& a% dLadt = k(7)*C(Hmf);
' F; Q* K2 Y! j% u% V4 d4 q. H* K%dHmfdt = k(3)*C(Fru)-(k6+k7)*C(Hmf);
$ D1 B4 Z3 ^7 g9 @% Eclear all+ B$ ]- E5 }& [. n/ W) Y
clc
) d" b0 t" x; w7 Mformat long
) ~: f- \2 f7 A: Q2 w* u; b% t/min Glc Fru Fa La HMF/ mol/L * C6 a n" x# O7 v$ [ k& q! w Q. `+ q4 z
Kinetics=[0 0.25 0 0 0 0
* O( g5 h* X) ?, A, k, a3 f 15 0.2319 0.01257 0.0048 0 2.50E-046 I) h2 y; A' k+ b% ^0 d
30 0.19345 0.027 0.00868 0 7.00E-041 O3 L, h% X, G1 `( B/ f% c
45 0.15105 0.06975 0.02473 0 0.00330 L# x2 w6 p5 Y6 A
60 0.13763 0.07397 0.02615 0 0.00428 ]4 [( W0 z) I# b: P
90 0.08115 0.07877 0.07485 0 0.01405* B3 @, m/ i3 R) m; x( i$ v, V7 B
120 0.0656 0.07397 0.07885 0.00573 0.021439 A. d6 n6 M0 U
180 0.04488 0.0682 0.07135 0.0091 0.03623 D$ u5 S5 k! Z
240 0.03653 0.06488 0.08945 0.01828 0.05452/ o# K$ L- e$ y, T/ i+ W
300 0.02738 0.05448 0.09098 0.0227 0.0597
$ N) b+ f- @5 W! C+ X5 ^ 360 0.01855 0.04125 0.09363 0.0239 0.06495];
! z: z' v8 S: m& V% {( uk0 = [0.0000000005 0.0000000005 0.0000000005 0.00000000005 0.00005 0.0134 0.00564 0.00001 0.00001 0.00001]; % 参数初值
0 ]( \2 ~( q) U8 P' Ilb = [0 0 0 0 0 0 0 0 0 0]; % 参数下限( C0 S2 \6 }% ^# H
ub = [1 1 1 1 1 1 1 1 1 1]; % 参数上限
1 U0 Z. k" @3 i) ex0 = [0.25 0 0 0 0];
' Q0 w+ o* y4 a0 E5 dyexp = Kinetics; % yexp: 实验数据[x1 x4 x5 x6]
3 L4 h: O: i3 ^ F; ?( H M% warning off
6 ]3 {' u3 a! x) }, P- c4 [ e% 使用函数 ()进行参数估计/ X7 u, H' ^5 Q; W1 w$ N
[k,fval,flag] = fmincon(@ObjFunc7Fmincon,k0,[],[],[],[],lb,ub,[],[],x0,yexp); [, X, q3 {8 [4 ]* I1 a* l. A
fprintf('\n使用函数fmincon()估计得到的参数值为:\n')- f: [% D- m& n& f! X, f8 ^
fprintf('\tk1 = %.11f\n',k(1))4 l! [- L6 h9 t/ p, J* X
fprintf('\tk2 = %.11f\n',k(2))
1 A# W2 i, q3 S+ N# w9 P, vfprintf('\tk3 = %.11f\n',k(3))4 c( d" k$ C; u* ~# p
fprintf('\tk4 = %.11f\n',k(4))7 w; y8 B) _) |6 w& l! {3 X, H% D
fprintf('\tk5 = %.11f\n',k(5))9 x4 Y; e( \9 t% j
fprintf('\tk6 = %.11f\n',k(6))
3 l8 Y' t2 O! \fprintf('\tk7 = %.11f\n',k(7))( G/ ]; x) ^6 `& n N8 d
fprintf('\tk8 = %.11f\n',k(8))0 x5 K. e* \* m6 R, d0 i7 B4 l
fprintf('\tk9 = %.11f\n',k(9)). A8 A% t# s- a/ Y' a4 ?; T
fprintf('\tk10 = %.11f\n',k(10))
0 R1 \6 a' P$ w! r* ifprintf(' The sum of the squares is: %.1e\n\n',fval)
9 w' u' s0 M r- hk_fm= k;7 k# W) S& |, H4 Q+ z- q3 R8 `
% warning off; w8 s6 Z+ D6 }$ r; P
% 使用函数lsqnonlin()进行参数估计% x: Q2 h1 A; j$ S3 C4 |& w. C# M
[k,resnorm,residual,exitflag,output,lambda,jacobian] = ...
, G. ^# y8 Y* W. }: j; p lsqnonlin(@ObjFunc7LNL,k0,lb,ub,[],x0,yexp); 7 M8 A% u- h* X4 D
ci = nlparci(k,residual,jacobian);
3 X, w# l0 i9 |, afprintf('\n\n使用函数lsqnonlin()估计得到的参数值为:\n')
' ~' E4 _/ [' ]) ?8 nfprintf('\tk1 = %.11f\n',k(1))1 Q- N T1 E4 m2 o' b) H- h
fprintf('\tk2 = %.11f\n',k(2))/ Q9 C* _5 r [( z/ I9 A
fprintf('\tk3 = %.11f\n',k(3))4 {5 H0 `% f2 u
fprintf('\tk4 = %.11f\n',k(4))- A9 t5 [* }4 d/ `( [
fprintf('\tk5 = %.11f\n',k(5))
# n' }2 b6 }# Z8 [# p1 ?fprintf('\tk6 = %.11f\n',k(6))
6 W- ~$ A7 z6 a" H7 Rfprintf('\tk7 = %.11f\n',k(7))/ X7 c9 J- Q7 A& _9 ^' t
fprintf('\tk8 = %.11f\n',k(8))
7 |+ ^- l/ j9 B, }" gfprintf('\tk9 = %.11f\n',k(9))
) x6 c2 }# ]- E8 R, M( q$ j6 ffprintf('\tk10 = %.11f\n',k(10))' ]9 I) ?9 h* Z
fprintf(' The sum of the squares is: %.1e\n\n',resnorm)
* y* v% N+ _* G: Xk_ls = k;7 {/ I" M* g \% |+ V
output3 g% ~! g4 I: B7 W9 a
warning off
* {$ |! c+ y9 W" X: 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
. {* G W9 [0 W, G1 y- nk0 = k_fm;
4 ?+ ]9 t ?! S4 G5 T# l8 i[k,resnorm,residual,exitflag,output,lambda,jacobian] = ...- q2 V0 `8 l. _! ^1 Y
lsqnonlin(@ObjFunc7LNL,k0,lb,ub,[],x0,yexp); ( d/ q0 b8 J W" Z" ^# h2 W9 C: h
ci = nlparci(k,residual,jacobian);; \8 @/ Y z+ S$ N
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')( c, t0 } v$ I
fprintf('\tk1 = %.11f\n',k(1))8 p! q9 n8 X% Z6 x5 z; {9 J
fprintf('\tk2 = %.11f\n',k(2)): x% E7 V' r9 Q9 S6 k8 `
fprintf('\tk3 = %.11f\n',k(3))
: Y: n1 `- w# U5 a, @) P1 pfprintf('\tk4 = %.11f\n',k(4)): s+ k1 _0 n9 \' n* v5 y3 t- g
fprintf('\tk5 = %.11f\n',k(5))$ X) p: W. R5 p* U
fprintf('\tk6 = %.11f\n',k(6))
% v& s+ T* B' l% p% t, o" d+ X- cfprintf('\tk7 = %.11f\n',k(7))1 h5 Q4 m; |. h& C8 f
fprintf('\tk8 = %.11f\n',k(8))
2 x7 }" a/ V4 B* Ufprintf('\tk9 = %.11f\n',k(9))
3 z# U! k' u/ u+ Tfprintf('\tk10 = %.11f\n',k(10))1 }4 H( @6 t8 k+ b0 d3 I
fprintf(' The sum of the squares is: %.1e\n\n',resnorm)% }% }1 N' @3 J+ t! h1 }* j
k_fmls = k;
; V- ?& X/ Q* ]6 goutput
7 _; I5 x$ W% Q" P* Ztspan = [0 15 30 45 60 90 120 180 240 300 360];& m$ [4 w8 d; b" v; u4 A5 t+ W+ z
[t x] = ode45(@KineticEqs,tspan,x0,[],k_fmls);
* l Q6 e& [, a( j, efigure;
+ z# [' a9 o3 J! A, Nplot(t,x(:,1),t,yexp(:,2),'*');legend('Glc-pr','Glc-real')
) W# E/ y( W ?7 \' O- D+ Q' {% Q' Vfigure;plot(t,x(:,2:5));! s ~/ t! d$ T! e& d
p=x(:,1:5), p2 H" U! H) d
hold on' b5 t& K. }. U- y! [# C
plot(t,yexp(:,3:6),'o');legend('Fru-pr','Fa-pr','La-pr','HMF-pr','Fru-real','Fa-real','La-real','HMF-real')
* E: K$ S2 W3 ?4 B {0 c4 @: u# g% w6 X: a5 G% }& m
7 j: v, I |7 ~' G5 Q4 B4 Z+ Y4 R9 z" Z' v8 |/ J' o
function f = ObjFunc7LNL(k,x0,yexp)
+ H. l: d4 J1 ?. t, Vtspan = [0 15 30 45 60 90 120 180 240 300 360];
1 @ O/ Q/ ]' {$ L8 P[t, x] = ode45(@KineticEqs,tspan,x0,[],k); p. ?9 B X1 f1 W) T4 j
y(:,2) = x(:,1);7 z1 N! x: {& T; S& U
y(:,3:6) = x(:,2:5);# F$ `7 u1 G$ Y; b
f1 = y(:,2) - yexp(:,2);
% R) \1 {2 }! P- y3 U; Q% Pf2 = y(:,3) - yexp(:,3);
: K4 B% k- |) o \/ Kf3 = y(:,4) - yexp(:,4);
' |* a9 w1 l6 ]7 t% Jf4 = y(:,5) - yexp(:,5);- T: K+ X( K3 c! g g" T( r
f5 = y(:,6) - yexp(:,6);$ c% c6 O" ~5 e/ \# H
f = [f1; f2; f3; f4; f5];
; v D: O, `# r' x; Z$ j; a! b8 o+ h9 t" @6 B% ~3 d' d
2 z1 D) A. k" V
9 N3 P) J+ t! A& k* bfunction f = ObjFunc7Fmincon(k,x0,yexp)
: z2 o1 N; J- G# I) Utspan = [0 15 30 45 60 90 120 180 240 300 360];
( }% b9 ?3 H, y( x, q4 Q" t[t x] = ode45(@KineticEqs,tspan,x0,[],k); 3 u6 f) P7 m/ f. u) I, S0 s m
y(:,2) = x(:,1);
; c# a1 |1 e3 z! _y(:,3:6) = x(:,2:5);
, M: f8 y7 c, y6 pf = sum((y(:,2)-yexp(:,2)).^2) + sum((y(:,3)-yexp(:,3)).^2) ...+ M0 V! H1 D* @# q* h& ]( d+ p
+ sum((y(:,4)-yexp(:,4)).^2) + sum((y(:,5)-yexp(:,5)).^2) ...( \4 ?4 x8 S( M& C# s# D7 C7 Q
+ sum((y(:,6)-yexp(:,6)).^2) ;
% ~# I7 |: V! ?3 I- F5 v
0 a9 \" V3 T2 \2 H7 l0 R' W& l1 u' @# X7 K/ ]
5 t4 K4 r. o3 J1 I9 y; e0 D# S2 n2 w1 _6 R: a1 U3 }
function dxdt = KineticEqs(t,x,k)
1 _. j8 I4 \9 q2 j/ bdGldt = k(1)*x(2)-(k(2)+k(3)+k(8))*x(1);& s% T- o( B+ n- l! p
dFrdt = k(2)*x(1)-(k(1)+k(4)+k(5)+k(9))*x(2);
; H2 H8 o f& BdFadt = k(3)*x(1)+k(5)*x(2)+(k(6)+k(7))*x(5);- O8 |& e* D, J$ i$ N( a" {* r
dLadt = k(7)*x(5);. Z6 N( Q6 }: i
dHmdt = k(4)*x(2)-(k(6)+k(7)+k(10))*x(5);9 Y- B6 ^; W2 X- I! P3 ]
dxdt = [dGldt; dFrdt; dFadt; dLadt; dHmdt];
, N# O' M3 m% {+ F& }5 P; Y: C
8 c$ X" `/ k& Y9 S
9 N; q8 s3 o- B0 B' }) e |
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