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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
& Y! ~2 }0 d3 a% ]% ^& p% k1->k-1,k2->k1,k3->k2,k4->k3,k5->k4' k* ~; ]+ t+ {. M I3 B9 Q. t
% k6->k6 k7->k71 m) w2 }# R4 o0 r% B7 E
% dGlcdt = k-1*C(Fru)-(k1+k2)*C(Glc);9 ~4 h8 y0 c. n+ t/ P
% dFrudt = k1*C(Glc)-(k-1+k3+k4)C(Fru);
) O2 j$ L* Z9 ?7 @1 Q* W% dFadt = k(2)*C(Glc)+k4*C(Fru)+(k6+k7)*C(Hmf);' i5 _; Z3 c8 L. t/ h
% dLadt = k(7)*C(Hmf);- r6 B5 L5 z6 k( Y' T
%dHmfdt = k(3)*C(Fru)-(k6+k7)*C(Hmf);& W" V$ M. ?: \: R
clear all
- X! F2 b0 I3 N$ U' Kclc% y3 h/ l# v8 M7 z
format long
. V6 U1 l3 r2 f6 l% t/min Glc Fru Fa La HMF/ mol/L
1 p0 X" p5 K& @ Kinetics=[0 0.25 0 0 0 0 |/ i1 c* y$ S; m# h6 k
15 0.2319 0.01257 0.0048 0 2.50E-04# J# v( X& Y, z" q9 F) \
30 0.19345 0.027 0.00868 0 7.00E-04# Y( ]; ~$ I* Q, g9 @6 z+ I
45 0.15105 0.06975 0.02473 0 0.0033
$ g+ o) x7 s/ ~7 M 60 0.13763 0.07397 0.02615 0 0.00428# I+ H6 T$ k, _* [) I+ k2 j- u9 x
90 0.08115 0.07877 0.07485 0 0.01405
8 b; P, o- ]1 K+ h5 C# a 120 0.0656 0.07397 0.07885 0.00573 0.02143
* t" M3 q$ J0 H% u! ^ 180 0.04488 0.0682 0.07135 0.0091 0.03623
. y/ P/ O9 V1 T! k 240 0.03653 0.06488 0.08945 0.01828 0.05452
% s" f8 p6 r5 ?+ o/ {1 h& Z 300 0.02738 0.05448 0.09098 0.0227 0.0597/ \( r! V/ X$ x
360 0.01855 0.04125 0.09363 0.0239 0.06495];
8 w) G& {* i8 w& Tk0 = [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 R5 g6 }% ^) ]7 W' D" A& X- [lb = [0 0 0 0 0 0 0 0 0 0]; % 参数下限7 B& @6 ~- X6 D0 c- e# F9 }
ub = [1 1 1 1 1 1 1 1 1 1]; % 参数上限
4 j/ q8 o# K' O, Y5 q) G0 Sx0 = [0.25 0 0 0 0];
+ ]; e! C1 e' D& y+ Z9 i: Byexp = Kinetics; % yexp: 实验数据[x1 x4 x5 x6]: s: C }) Z$ x
% warning off6 y+ g# D0 G; s* M* Z9 y5 j
% 使用函数 ()进行参数估计
; I( c! m9 f& B, D[k,fval,flag] = fmincon(@ObjFunc7Fmincon,k0,[],[],[],[],lb,ub,[],[],x0,yexp);
8 O9 x/ h, G5 @0 _1 r& {" ifprintf('\n使用函数fmincon()估计得到的参数值为:\n')
; [ }* b6 X. s! Y0 D/ Zfprintf('\tk1 = %.11f\n',k(1))9 e0 S$ o$ q5 Z% h7 A/ h# }
fprintf('\tk2 = %.11f\n',k(2))# _; z& j2 D/ l0 ?5 i" ], W6 g7 }7 K
fprintf('\tk3 = %.11f\n',k(3))0 n( f4 C! [) r8 F- q ~, i) L2 A; |
fprintf('\tk4 = %.11f\n',k(4))
. z0 C& Y5 X, a; W6 _8 }fprintf('\tk5 = %.11f\n',k(5))0 ~7 s" S+ T d- Q& k
fprintf('\tk6 = %.11f\n',k(6))
' g) F1 J. Q/ Z1 M6 Bfprintf('\tk7 = %.11f\n',k(7))- l7 L+ Z) I8 Z2 K& T/ l1 Z
fprintf('\tk8 = %.11f\n',k(8)), v- ^+ l% P, w% I( t$ g" k$ r' K
fprintf('\tk9 = %.11f\n',k(9))% z1 y3 M4 W; I
fprintf('\tk10 = %.11f\n',k(10))
2 @' \0 @: U! Ifprintf(' The sum of the squares is: %.1e\n\n',fval) ]/ R$ Q9 _9 {1 E- o) O4 u
k_fm= k;
; I' u* P i* T; o3 ^ E0 u% warning off! b* L$ \, H# d! k$ f& w
% 使用函数lsqnonlin()进行参数估计* o) Z6 s3 k! p ?2 |2 ?
[k,resnorm,residual,exitflag,output,lambda,jacobian] = ..., O% Y8 r) c7 z: T) b" `
lsqnonlin(@ObjFunc7LNL,k0,lb,ub,[],x0,yexp);
% B- Z, K" O" m% D. Y) e" G* tci = nlparci(k,residual,jacobian);
+ Z" U& U) Q( v$ D+ R# {: O3 Tfprintf('\n\n使用函数lsqnonlin()估计得到的参数值为:\n')8 P0 u' M! H! {+ e
fprintf('\tk1 = %.11f\n',k(1))
* z, V* v' h1 B/ B8 R3 |3 d4 O) kfprintf('\tk2 = %.11f\n',k(2))) l' Z# Y; P# t* P; `
fprintf('\tk3 = %.11f\n',k(3))
( d' { V9 w% h& {7 x- Efprintf('\tk4 = %.11f\n',k(4))
b% @; z3 C( c3 n$ M- I7 S, bfprintf('\tk5 = %.11f\n',k(5))9 J0 M* z; _, H2 C' U0 l, r. Y
fprintf('\tk6 = %.11f\n',k(6))
M \( v7 Y3 n7 W8 P+ }fprintf('\tk7 = %.11f\n',k(7))
2 o1 p( f- T! L! s. |' y+ t3 wfprintf('\tk8 = %.11f\n',k(8)), a4 G6 `4 `& `$ I, Y, ^- ^; h
fprintf('\tk9 = %.11f\n',k(9))- O9 C. e& W/ E4 E4 q/ h+ o; t- o
fprintf('\tk10 = %.11f\n',k(10))
9 v& y9 X! c: u, G& afprintf(' The sum of the squares is: %.1e\n\n',resnorm)/ E9 T: o* @- d
k_ls = k;+ C' }9 t( o" k. k y% ~# F
output1 I( y* p* C1 [4 Z' i
warning off
- e: J1 L& |6 M" S7 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
1 N m5 i+ P- q2 X5 E) q) `% K, w! Ik0 = k_fm;' D* a/ f1 \7 j3 b5 T; X: M
[k,resnorm,residual,exitflag,output,lambda,jacobian] = ...
/ D3 p# _, y( y7 D lsqnonlin(@ObjFunc7LNL,k0,lb,ub,[],x0,yexp);
% Q; m3 q! q7 p- J- Y4 ^- Lci = nlparci(k,residual,jacobian);7 H) Z0 a" Y+ k6 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')7 W! [( X. H& Z" k
fprintf('\tk1 = %.11f\n',k(1))
2 _1 g! [& f( K$ G5 ~# [7 \- z7 t( vfprintf('\tk2 = %.11f\n',k(2))
% W3 c" D/ K7 \5 ^fprintf('\tk3 = %.11f\n',k(3))
9 O0 r6 S; O! n+ F- ifprintf('\tk4 = %.11f\n',k(4))
3 B2 e$ Z9 n' S i8 b# m( d1 V& Gfprintf('\tk5 = %.11f\n',k(5)), n* ?0 c$ G7 v, X" [* ]* r0 Z
fprintf('\tk6 = %.11f\n',k(6))& {0 v c7 o# l2 ^
fprintf('\tk7 = %.11f\n',k(7))
4 o: U _+ x8 z7 z2 v# Hfprintf('\tk8 = %.11f\n',k(8))
6 H: K6 d6 ^+ I. ~" u+ @9 M* T# Yfprintf('\tk9 = %.11f\n',k(9))
2 O( l' O* t8 M- I) z2 dfprintf('\tk10 = %.11f\n',k(10))& b8 o1 ~) j |
fprintf(' The sum of the squares is: %.1e\n\n',resnorm)
8 Y5 U: { ~& z& ` ` Zk_fmls = k;
% @5 z b* Q7 l0 {) f& x& \0 aoutput
1 s& b* \6 @0 u- _tspan = [0 15 30 45 60 90 120 180 240 300 360];2 W9 K6 G2 u, N. g- v( e- A$ I
[t x] = ode45(@KineticEqs,tspan,x0,[],k_fmls);
1 C: A2 R+ ], u) g" \4 g4 Ffigure;# C# `" C8 d* ^# z1 y; S# p9 i
plot(t,x(:,1),t,yexp(:,2),'*');legend('Glc-pr','Glc-real')# u0 K( }2 U" s; r2 y
figure;plot(t,x(:,2:5));
& f# k+ e% m: Cp=x(:,1:5). }6 C6 C+ s( y+ G3 t- t5 P
hold on$ O; t1 P0 n! l0 J9 |
plot(t,yexp(:,3:6),'o');legend('Fru-pr','Fa-pr','La-pr','HMF-pr','Fru-real','Fa-real','La-real','HMF-real')
( J- q: F" E. s8 D
, \& s O1 H* ]! b
! L# Q! n9 Q# i' V* |; K
U" _ z' z- }3 _8 Ffunction f = ObjFunc7LNL(k,x0,yexp)
$ t7 i% [: z. T0 y9 Q) s% ftspan = [0 15 30 45 60 90 120 180 240 300 360];1 w" O: c: `& L, F
[t, x] = ode45(@KineticEqs,tspan,x0,[],k); ; P+ B) }) p- u7 {
y(:,2) = x(:,1);, X! H5 s9 |3 l: {! d. D
y(:,3:6) = x(:,2:5);, u7 P B: b* s: i
f1 = y(:,2) - yexp(:,2);
4 G) `# E" ~ m. X! ]1 h8 ]f2 = y(:,3) - yexp(:,3);
* s4 F; \+ v/ ? o4 Pf3 = y(:,4) - yexp(:,4);* D* ~5 p; G/ o& t7 n7 s
f4 = y(:,5) - yexp(:,5);4 z0 F1 g/ J: x, J7 u0 |
f5 = y(:,6) - yexp(:,6);+ _& F! b# t2 U
f = [f1; f2; f3; f4; f5];
2 [% [- A" ]; N
. N4 N; N( x4 a" ? ^/ o3 o+ Y7 z4 {; y$ I% |
9 c9 Z$ a" A3 [& ^5 G% }function f = ObjFunc7Fmincon(k,x0,yexp)
+ q( I8 B1 s2 i( [& stspan = [0 15 30 45 60 90 120 180 240 300 360];
% q% t" X# B0 K; y2 |[t x] = ode45(@KineticEqs,tspan,x0,[],k);
/ K O* R8 Q* L/ F {! ?; X7 S9 Ny(:,2) = x(:,1);5 }5 Q# I, j- d" |. X
y(:,3:6) = x(:,2:5);2 K9 Z1 r; P7 x) I H2 t
f = sum((y(:,2)-yexp(:,2)).^2) + sum((y(:,3)-yexp(:,3)).^2) ...4 v; L0 A, x# f. P. A: t9 b
+ sum((y(:,4)-yexp(:,4)).^2) + sum((y(:,5)-yexp(:,5)).^2) ...
1 ?& X8 k. T5 {' e. l6 Z- M5 R- b. b + sum((y(:,6)-yexp(:,6)).^2) ;
* t7 Q9 Y4 c: _: I5 _' U8 i$ v% [0 C3 ^+ K) ]/ V% R8 E
) H1 D3 e3 N* s- r4 P# c& A+ P4 k" ^" _+ x
/ q% n& y: L N. E& q
function dxdt = KineticEqs(t,x,k)
5 ]9 g% h( Q& ydGldt = k(1)*x(2)-(k(2)+k(3)+k(8))*x(1);
0 r$ |$ D6 y! i% n6 b# j$ Z$ G7 GdFrdt = k(2)*x(1)-(k(1)+k(4)+k(5)+k(9))*x(2);/ E" |: s+ o+ e( W
dFadt = k(3)*x(1)+k(5)*x(2)+(k(6)+k(7))*x(5);
. Z& |9 b2 P, F1 EdLadt = k(7)*x(5);' N& V* |6 S' r; }
dHmdt = k(4)*x(2)-(k(6)+k(7)+k(10))*x(5);
: b+ C- n$ ~# m9 |+ i1 tdxdt = [dGldt; dFrdt; dFadt; dLadt; dHmdt];0 S2 N7 r, Z+ ^' g3 D2 r- o
9 Z$ A1 y/ _7 `1 H r+ d0 b' D! {0 J5 o$ e; R9 x9 \
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