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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# X0 d, M5 m5 o s/ u
% k1->k-1,k2->k1,k3->k2,k4->k3,k5->k4
i6 a" h: P7 q0 L1 ?1 j9 V9 d# `) Y% k6->k6 k7->k7) N- b, F5 x+ u
% dGlcdt = k-1*C(Fru)-(k1+k2)*C(Glc);
# S4 I! ^, a `6 C% dFrudt = k1*C(Glc)-(k-1+k3+k4)C(Fru);
0 v& y q! X/ u( g! {3 G- k, r! p% dFadt = k(2)*C(Glc)+k4*C(Fru)+(k6+k7)*C(Hmf);
( i% j x( d2 C! X% dLadt = k(7)*C(Hmf);7 A; j' I* x7 x* m9 J
%dHmfdt = k(3)*C(Fru)-(k6+k7)*C(Hmf);# x5 c$ K3 L0 X0 I7 C
clear all
' G+ b. W! ^7 f( {$ Xclc0 l& L9 m- g+ ]3 M$ E0 h
format long$ Z F$ a3 \2 B, q! m, l0 z$ P
% t/min Glc Fru Fa La HMF/ mol/L
5 d+ j7 \! c2 Y/ {; p3 U Kinetics=[0 0.25 0 0 0 0! x7 {: H; v& z( {- E
15 0.2319 0.01257 0.0048 0 2.50E-047 P* I+ }% W' _2 w3 x7 A) C
30 0.19345 0.027 0.00868 0 7.00E-04
2 i( y; t) [* n# s4 s. @ 45 0.15105 0.06975 0.02473 0 0.0033
9 v2 B0 o) k$ w( P: R9 x4 W! ? 60 0.13763 0.07397 0.02615 0 0.00428- E' z) h% g4 `# @4 [
90 0.08115 0.07877 0.07485 0 0.01405- ~( g: x7 y/ o* [, C
120 0.0656 0.07397 0.07885 0.00573 0.02143
6 f( d& D7 {1 ^7 S6 }" l" N8 d& E 180 0.04488 0.0682 0.07135 0.0091 0.03623 e6 M% K( h0 L: f
240 0.03653 0.06488 0.08945 0.01828 0.05452
# @1 N; L6 M4 A @1 [4 j' R4 o 300 0.02738 0.05448 0.09098 0.0227 0.0597
7 m) p" b3 h" p5 |/ X 360 0.01855 0.04125 0.09363 0.0239 0.06495];/ P, Z& k0 c7 m1 |8 z4 ~8 V) c
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
5 V7 O3 y% }5 N: Z$ W9 {lb = [0 0 0 0 0 0 0 0 0 0]; % 参数下限
. Z! q5 I' K5 f6 D5 cub = [1 1 1 1 1 1 1 1 1 1]; % 参数上限
: b x; d+ O/ m9 y! [x0 = [0.25 0 0 0 0];9 W( S; h; i9 K. a! b
yexp = Kinetics; % yexp: 实验数据[x1 x4 x5 x6]
7 j1 b3 B8 I" j, ?* a w9 W% warning off }* n }" l3 J. u$ A7 i4 Q
% 使用函数 ()进行参数估计& p3 p3 W2 q, c' a# Q, \( @
[k,fval,flag] = fmincon(@ObjFunc7Fmincon,k0,[],[],[],[],lb,ub,[],[],x0,yexp);' g5 W' W" E8 Q( |4 c6 `0 F
fprintf('\n使用函数fmincon()估计得到的参数值为:\n')
3 @& G& D6 u( T. I6 h3 |1 P7 Mfprintf('\tk1 = %.11f\n',k(1))
2 a9 M# c8 V+ R1 y1 {fprintf('\tk2 = %.11f\n',k(2))0 v5 I) Y" @" d p8 {
fprintf('\tk3 = %.11f\n',k(3))! [+ P' @" g. F( G1 M
fprintf('\tk4 = %.11f\n',k(4))9 U A1 o+ X6 s Z2 S
fprintf('\tk5 = %.11f\n',k(5))
1 F! _* u* c1 h( O9 X) [fprintf('\tk6 = %.11f\n',k(6))* I# h* g0 ]% H- g0 e- n
fprintf('\tk7 = %.11f\n',k(7))( q$ f: k% d: i. d
fprintf('\tk8 = %.11f\n',k(8))
' R; ?: \8 T4 P2 U9 w6 ^fprintf('\tk9 = %.11f\n',k(9)); S1 O. Q; o; ~2 |1 L7 r
fprintf('\tk10 = %.11f\n',k(10))
+ l/ R8 n4 S4 g, @* F8 Efprintf(' The sum of the squares is: %.1e\n\n',fval)7 M5 Y3 y2 x$ S, ?' Q- G
k_fm= k;
, y+ y6 L. ^7 x% warning off0 Z; @/ R! [6 r' w3 n4 [ A
% 使用函数lsqnonlin()进行参数估计( M; Z2 Q% p* C% b6 I# M
[k,resnorm,residual,exitflag,output,lambda,jacobian] = ...1 y' G: ]9 P- G# `( x3 C
lsqnonlin(@ObjFunc7LNL,k0,lb,ub,[],x0,yexp); * h+ `$ l+ U6 f; K
ci = nlparci(k,residual,jacobian);0 L( Z, c- z0 h! ^! @- S! V- O2 R
fprintf('\n\n使用函数lsqnonlin()估计得到的参数值为:\n'); ~0 b1 e5 P6 F% e
fprintf('\tk1 = %.11f\n',k(1))
4 R$ `! N# D' C/ T e* pfprintf('\tk2 = %.11f\n',k(2))5 ~, r/ y6 X8 _/ F/ d
fprintf('\tk3 = %.11f\n',k(3))
9 }# {4 a! v& w' K% ?fprintf('\tk4 = %.11f\n',k(4))
+ X0 B- }2 O3 Tfprintf('\tk5 = %.11f\n',k(5))
% m& B. _, E. |5 B' w2 \( q# efprintf('\tk6 = %.11f\n',k(6))
: m' \# [5 ]9 {8 p* ~/ O- @fprintf('\tk7 = %.11f\n',k(7))
5 z& I4 l& C% F# ?fprintf('\tk8 = %.11f\n',k(8))
. q2 ^/ ]! k2 e3 b4 t: bfprintf('\tk9 = %.11f\n',k(9))* x& [2 d) x6 Y, g( J6 `, H$ F3 x
fprintf('\tk10 = %.11f\n',k(10))
' P8 E) e+ V7 X0 F2 tfprintf(' The sum of the squares is: %.1e\n\n',resnorm)% {1 f9 x! }% {4 [" b/ o
k_ls = k;
' ?$ ^8 K" S j, u7 routput
( U+ ]+ t% D2 d4 d( jwarning off( u0 F8 s* J" N( g5 H) N* s G
% 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
+ w% w: R5 S$ ^1 p- |4 g/ r$ u5 {" }k0 = k_fm;: h/ F8 g6 X. u' h
[k,resnorm,residual,exitflag,output,lambda,jacobian] = ...
5 Q6 z& G8 ?6 o lsqnonlin(@ObjFunc7LNL,k0,lb,ub,[],x0,yexp);
/ J( o$ Z5 Z. Y. \% k" sci = nlparci(k,residual,jacobian);# n3 U! `& d6 e/ u/ F* c. w
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')7 h. J" O7 ]$ }) L3 @0 b
fprintf('\tk1 = %.11f\n',k(1))0 y+ Z$ s, B9 A6 q' d$ A; p$ A! L, C
fprintf('\tk2 = %.11f\n',k(2))
% ?! [4 D% `; [0 X/ E: ifprintf('\tk3 = %.11f\n',k(3)), q+ ?' _; M9 W$ S8 \9 w/ H' n
fprintf('\tk4 = %.11f\n',k(4)): h+ O s; c) ~/ v1 d1 b' X; g
fprintf('\tk5 = %.11f\n',k(5)); {8 S3 t) w3 ]. }2 c2 E& i. M0 u
fprintf('\tk6 = %.11f\n',k(6))
- H$ y" _6 |) d6 p: [3 Afprintf('\tk7 = %.11f\n',k(7))
, f7 _, R9 `4 S/ V# s g. H6 E; r$ Hfprintf('\tk8 = %.11f\n',k(8))' u( G x. X: Y' `! c# d
fprintf('\tk9 = %.11f\n',k(9))% M3 b, l- m: N' Z, B- s( _8 f L
fprintf('\tk10 = %.11f\n',k(10))
5 y) F( ~5 f, l$ [. ~4 Kfprintf(' The sum of the squares is: %.1e\n\n',resnorm)
/ S& ]% o! r& V6 k0 Rk_fmls = k;
* T/ J# T K# ~6 ?output
1 r h* }5 }$ Ftspan = [0 15 30 45 60 90 120 180 240 300 360];% O1 D7 }+ N# _1 R3 T$ K! C7 F+ m' z
[t x] = ode45(@KineticEqs,tspan,x0,[],k_fmls);
D( h! D" H8 W3 ?, G2 h( A7 yfigure;
& t( W$ ]* V# M( I; J9 v/ Xplot(t,x(:,1),t,yexp(:,2),'*');legend('Glc-pr','Glc-real')
9 @& _5 c: m. @3 D+ W4 Q$ @$ [figure;plot(t,x(:,2:5));
/ ~' f- n" ?; w8 g+ ]; F4 x: p6 g! np=x(:,1:5), Z8 ?5 B4 S9 o4 }0 q2 Y
hold on5 {/ a/ e0 V* A! Y6 \
plot(t,yexp(:,3:6),'o');legend('Fru-pr','Fa-pr','La-pr','HMF-pr','Fru-real','Fa-real','La-real','HMF-real')
8 O! r4 e) H5 p5 S. `
$ _9 A1 c* ~& W6 L5 B U
5 Z+ x" o+ \' b+ N* `: M2 ~! ^3 F: k, l5 k0 ]( j# i+ [
function f = ObjFunc7LNL(k,x0,yexp)' k. D- b3 B' V9 i2 w H
tspan = [0 15 30 45 60 90 120 180 240 300 360];
$ P' l6 Y1 r& W" \4 O* \# V[t, x] = ode45(@KineticEqs,tspan,x0,[],k); , @2 I/ f% ^& {: D0 f1 k8 t
y(:,2) = x(:,1);) u" Z5 G: x; F ~; f% p3 _
y(:,3:6) = x(:,2:5);
" g0 I( g5 U/ _# s- j8 U3 Uf1 = y(:,2) - yexp(:,2);! L; ^8 D _ H" W
f2 = y(:,3) - yexp(:,3);) l! u+ h. j0 B/ Q4 w. `
f3 = y(:,4) - yexp(:,4);
( n0 |7 g4 Q2 a* [ Ff4 = y(:,5) - yexp(:,5);
9 r( Y9 s1 U: h- o- ff5 = y(:,6) - yexp(:,6);0 v# o; o" i7 A& ^( q
f = [f1; f2; f3; f4; f5];1 q/ w1 _6 u* R) Q+ P" U5 j. B# X
% Z; m9 M! b" ~9 t2 Z3 \4 L5 c
& g" ]9 f# C6 k# S* m' D* M$ l2 j5 |! L; d
function f = ObjFunc7Fmincon(k,x0,yexp)
/ F* g% p d) R- V% c$ \+ xtspan = [0 15 30 45 60 90 120 180 240 300 360];
+ P" f; P/ M0 j[t x] = ode45(@KineticEqs,tspan,x0,[],k);
0 ^9 C! T+ X: ry(:,2) = x(:,1);: l1 U( T/ z- B. P! P, `
y(:,3:6) = x(:,2:5);6 |; O1 {' b3 b6 ]0 H% J8 z
f = sum((y(:,2)-yexp(:,2)).^2) + sum((y(:,3)-yexp(:,3)).^2) ...! a8 H3 @' M) }* ? k; a
+ sum((y(:,4)-yexp(:,4)).^2) + sum((y(:,5)-yexp(:,5)).^2) ...
" O9 l8 i: T/ m" {$ N+ j: i + sum((y(:,6)-yexp(:,6)).^2) ;
3 e7 u0 i+ _# K" C+ t& c
1 V& k) ]6 a0 b* O/ g3 ?# u, X- f# b" w4 d
2 i* A1 T& j, u1 Q% E
2 L0 G5 B4 w: I4 bfunction dxdt = KineticEqs(t,x,k)+ x( x) Y( {9 Y
dGldt = k(1)*x(2)-(k(2)+k(3)+k(8))*x(1);
6 L. t4 D+ _, s. H; v+ @& t" vdFrdt = k(2)*x(1)-(k(1)+k(4)+k(5)+k(9))*x(2);
7 {4 \' t- G4 J* b5 ?dFadt = k(3)*x(1)+k(5)*x(2)+(k(6)+k(7))*x(5);
" v, }1 t/ ^, v5 S1 cdLadt = k(7)*x(5);5 L6 r7 _) U9 ^6 R/ R4 _
dHmdt = k(4)*x(2)-(k(6)+k(7)+k(10))*x(5);" v, I% N2 E3 K3 I/ G7 v' r
dxdt = [dGldt; dFrdt; dFadt; dLadt; dHmdt];
/ `8 |" g, W& K* j' G
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Glc.zip
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