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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" \$ V- U) F- H9 L. L& f
% k1->k-1,k2->k1,k3->k2,k4->k3,k5->k48 T$ s- t* A& S* e9 v% P
% k6->k6 k7->k7
4 M: w4 n4 {0 }7 t' @! o5 E# e% dGlcdt = k-1*C(Fru)-(k1+k2)*C(Glc); e9 x/ k( E7 m
% dFrudt = k1*C(Glc)-(k-1+k3+k4)C(Fru); J$ S0 W. k7 k2 ]
% dFadt = k(2)*C(Glc)+k4*C(Fru)+(k6+k7)*C(Hmf);, x1 q! h7 H, [2 H3 ~
% dLadt = k(7)*C(Hmf);
" W, i/ [* G7 X$ X5 _* y8 A%dHmfdt = k(3)*C(Fru)-(k6+k7)*C(Hmf);
) a5 R/ O F1 ?6 y5 P, Eclear all
+ B8 Y. f' N2 i) h4 Y6 q& \clc
c( u1 g7 W& y1 Pformat long
" e. \8 @8 b: X7 S( Z( i1 P5 G L2 _% t/min Glc Fru Fa La HMF/ mol/L
5 V5 g) u1 {+ b3 n3 V, o Kinetics=[0 0.25 0 0 0 0
0 V$ P: b: {$ h+ h) ~+ Y7 O 15 0.2319 0.01257 0.0048 0 2.50E-041 p( q- v: {2 D1 v* Z8 B6 C' J, ~
30 0.19345 0.027 0.00868 0 7.00E-04
3 x) M$ u# n4 v" b6 H* O% o8 w 45 0.15105 0.06975 0.02473 0 0.0033
/ D5 l- a9 z/ T1 s8 | 60 0.13763 0.07397 0.02615 0 0.00428
( [* y; P9 A7 J* {# b1 Q4 v 90 0.08115 0.07877 0.07485 0 0.014052 Y: G Y0 s3 U5 u
120 0.0656 0.07397 0.07885 0.00573 0.02143* E& U( n2 e9 L/ B) Q
180 0.04488 0.0682 0.07135 0.0091 0.03623
3 V' _# a. r7 e, ~3 v7 { 240 0.03653 0.06488 0.08945 0.01828 0.054523 w) |& W8 A- U4 q+ I5 \- h) ?1 E
300 0.02738 0.05448 0.09098 0.0227 0.0597
* o' N r! N8 o$ F6 F( u* x' V 360 0.01855 0.04125 0.09363 0.0239 0.06495];
: S0 H+ Q% m# [2 b; c* H. Nk0 = [0.0000000005 0.0000000005 0.0000000005 0.00000000005 0.00005 0.0134 0.00564 0.00001 0.00001 0.00001]; % 参数初值
- H9 O2 O' |1 xlb = [0 0 0 0 0 0 0 0 0 0]; % 参数下限! \0 H1 |6 J, K) b! o6 F
ub = [1 1 1 1 1 1 1 1 1 1]; % 参数上限/ D- |( ?7 g( g9 R) b: l0 r3 i
x0 = [0.25 0 0 0 0];, F: v d8 ]% R' P: A* ~
yexp = Kinetics; % yexp: 实验数据[x1 x4 x5 x6]
" c! ^$ D. w! L: T6 R% warning off0 \1 c; I( u6 E5 E: E
% 使用函数 ()进行参数估计! }9 \$ [4 [( g) Q$ p& j; Q
[k,fval,flag] = fmincon(@ObjFunc7Fmincon,k0,[],[],[],[],lb,ub,[],[],x0,yexp);
; V3 x& \; K+ J5 efprintf('\n使用函数fmincon()估计得到的参数值为:\n'), u. f, y2 s/ i# c( a- u
fprintf('\tk1 = %.11f\n',k(1))
6 ^( ~& X' |( jfprintf('\tk2 = %.11f\n',k(2))
# e6 ?' u6 I0 {6 }fprintf('\tk3 = %.11f\n',k(3))
; y! h( {; F: _, L: Bfprintf('\tk4 = %.11f\n',k(4))
8 ?& g! w0 d& s1 mfprintf('\tk5 = %.11f\n',k(5))% O' u2 P) z) E+ @
fprintf('\tk6 = %.11f\n',k(6))/ d3 v! r. W P* t* }- L
fprintf('\tk7 = %.11f\n',k(7))
' r2 M5 W* K6 `fprintf('\tk8 = %.11f\n',k(8))! S! c8 S4 n5 ^; a+ i8 X
fprintf('\tk9 = %.11f\n',k(9))
( Y( A5 w1 G6 u9 r# W W f9 Pfprintf('\tk10 = %.11f\n',k(10))
9 _/ @1 {4 a& k1 J. {( z2 vfprintf(' The sum of the squares is: %.1e\n\n',fval)
( G( @/ v# u& T gk_fm= k;: w: i S& r# [
% warning off7 ?& D6 U1 H l5 S. K2 I0 S- h/ i
% 使用函数lsqnonlin()进行参数估计
% T" t, f7 ?9 ?7 u2 A[k,resnorm,residual,exitflag,output,lambda,jacobian] = ...
- `2 y' J5 Z2 o. `) w( B lsqnonlin(@ObjFunc7LNL,k0,lb,ub,[],x0,yexp);
) ~! o" U% {8 f7 B7 dci = nlparci(k,residual,jacobian);
# C! B% m R1 wfprintf('\n\n使用函数lsqnonlin()估计得到的参数值为:\n')
: a Y5 J% x \2 `2 G! Hfprintf('\tk1 = %.11f\n',k(1)), D0 Q$ Y2 d% v1 X. s9 Z9 ^
fprintf('\tk2 = %.11f\n',k(2))* S* L) O Q. C& M L/ Y2 W1 y/ \
fprintf('\tk3 = %.11f\n',k(3))3 N; h& A) m+ u% V$ A' y
fprintf('\tk4 = %.11f\n',k(4))
/ M N; ?0 q" ?fprintf('\tk5 = %.11f\n',k(5)). w( O! D# b1 n/ Z2 R& v
fprintf('\tk6 = %.11f\n',k(6))
) P5 q) N1 m' Q' E' d; ], `fprintf('\tk7 = %.11f\n',k(7))
# r2 t/ c9 e) N/ H1 b6 P7 Tfprintf('\tk8 = %.11f\n',k(8)); w, c I S: B7 v" W
fprintf('\tk9 = %.11f\n',k(9))+ ~6 u j6 H- [( R
fprintf('\tk10 = %.11f\n',k(10))
) r& b# F0 @4 [5 g& Pfprintf(' The sum of the squares is: %.1e\n\n',resnorm)9 T# I/ U6 Z$ w
k_ls = k;
+ @3 m: b K8 p! R! W9 f/ uoutput/ d8 O4 l; `+ e' Y" T
warning off
% r3 \; o, a$ c+ t% 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
' s$ H5 V# `: u6 Hk0 = k_fm;* J9 {7 \8 L' [" o% z
[k,resnorm,residual,exitflag,output,lambda,jacobian] = ...
$ N$ z" ~, b5 Q3 N$ ~. t lsqnonlin(@ObjFunc7LNL,k0,lb,ub,[],x0,yexp); 0 V2 m1 N2 Q% S: ^1 ^
ci = nlparci(k,residual,jacobian);
) d2 R1 y) |% ifprintf('\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')
# s1 M" n" C3 q1 gfprintf('\tk1 = %.11f\n',k(1))) W# e2 Y' H5 z2 B% \& Q9 v6 |+ m
fprintf('\tk2 = %.11f\n',k(2))
2 k5 L" _ N7 `+ y/ T- r# rfprintf('\tk3 = %.11f\n',k(3))
4 F8 }( E: C" A- Z; T# G& a2 ]fprintf('\tk4 = %.11f\n',k(4))
# \) l2 {2 y* C# L) \" d& Cfprintf('\tk5 = %.11f\n',k(5))
$ d ^: u. }+ {fprintf('\tk6 = %.11f\n',k(6))
' h) F( N1 X$ W7 r, L8 @3 Pfprintf('\tk7 = %.11f\n',k(7))! J K) m) a! X8 u0 x$ O# o
fprintf('\tk8 = %.11f\n',k(8))
8 }* p5 j. _! j% d* X8 Dfprintf('\tk9 = %.11f\n',k(9))
5 Q! X8 ?# B( Z$ a) x2 g1 bfprintf('\tk10 = %.11f\n',k(10))
) i$ E4 W; y" ifprintf(' The sum of the squares is: %.1e\n\n',resnorm)1 u/ a6 Z% J+ [# ], o
k_fmls = k;
6 L( C9 y8 P4 W1 B$ Woutput
0 _. t* I" D4 j, h& w0 w% B5 k, Vtspan = [0 15 30 45 60 90 120 180 240 300 360];, |6 d% W3 F, P+ m g' t2 O/ s
[t x] = ode45(@KineticEqs,tspan,x0,[],k_fmls);
/ ]. o; @' v7 B! o6 jfigure;
( K2 c4 _) f0 O3 Q0 s; G0 Aplot(t,x(:,1),t,yexp(:,2),'*');legend('Glc-pr','Glc-real')
6 T, f5 J5 I7 [) f+ f4 Ufigure;plot(t,x(:,2:5));; W4 c+ H" ^' v. g: B
p=x(:,1:5)& {( M; G" P! \5 T
hold on0 g, Y7 {* F1 Z3 W0 N& D4 Y
plot(t,yexp(:,3:6),'o');legend('Fru-pr','Fa-pr','La-pr','HMF-pr','Fru-real','Fa-real','La-real','HMF-real')
# \ W4 Q. L3 o3 j# I: p& f0 _; v) ^# z8 d9 Q4 [2 p, ]% m
3 B9 i9 E) \- e7 _% ]8 {
1 o6 o, X; `. C" Q: l! h7 Gfunction f = ObjFunc7LNL(k,x0,yexp)! e5 S; H* W h3 d
tspan = [0 15 30 45 60 90 120 180 240 300 360];
4 R( T- H! I- a[t, x] = ode45(@KineticEqs,tspan,x0,[],k);
! Q' u0 g8 X7 F+ K8 N0 @y(:,2) = x(:,1);
" y8 Y# S8 v( z* F0 Ny(:,3:6) = x(:,2:5);
5 M1 w9 w D4 y c) ff1 = y(:,2) - yexp(:,2);+ v+ p; B9 L7 k, p7 l* a2 q/ j
f2 = y(:,3) - yexp(:,3);
$ J1 U4 n5 M' gf3 = y(:,4) - yexp(:,4);
5 v- s: r7 Q& x" L8 mf4 = y(:,5) - yexp(:,5);
8 @# S* q9 s+ b- X1 B. L/ V8 Af5 = y(:,6) - yexp(:,6);
( k2 n$ q, Y- U/ r+ m4 X4 kf = [f1; f2; f3; f4; f5];6 [) v: V1 K$ X) ?9 s8 ]
7 _ n3 }: L( D& c& R1 z% B( b- a3 _, c+ l8 }" T
; L6 ]3 \: O, m: G$ ^. q/ Hfunction f = ObjFunc7Fmincon(k,x0,yexp)! g! X) \' V& y+ u$ M
tspan = [0 15 30 45 60 90 120 180 240 300 360];
1 }; P+ r- J- d9 C: A[t x] = ode45(@KineticEqs,tspan,x0,[],k); ' X* z2 y0 O. z& n9 C0 \
y(:,2) = x(:,1);
3 k8 n- q) o) v; Ry(:,3:6) = x(:,2:5);( z7 U0 H9 e; @) _0 _( @5 N
f = sum((y(:,2)-yexp(:,2)).^2) + sum((y(:,3)-yexp(:,3)).^2) ...+ q u- O6 I/ ~& M
+ sum((y(:,4)-yexp(:,4)).^2) + sum((y(:,5)-yexp(:,5)).^2) ..." j1 D) y' x0 O
+ sum((y(:,6)-yexp(:,6)).^2) ;
. r8 D( t+ E. I6 m4 D- j( |$ A
+ m3 P+ A6 V9 ^+ U* s9 f8 X; S. t; k( o
9 j% C1 |6 k- i# q* e/ t- A# T" w9 d$ } _
5 t# }1 I6 ~! _" \. b
function dxdt = KineticEqs(t,x,k)
. P8 c" x2 R- i" }dGldt = k(1)*x(2)-(k(2)+k(3)+k(8))*x(1);
; `' c* C/ i! \1 mdFrdt = k(2)*x(1)-(k(1)+k(4)+k(5)+k(9))*x(2);
$ R0 X" \# c' W# v6 Z) N# R# ^% BdFadt = k(3)*x(1)+k(5)*x(2)+(k(6)+k(7))*x(5);
4 h# a1 i4 w9 J7 RdLadt = k(7)*x(5);1 ]+ A$ M# G' Y* |' m S d1 q" `
dHmdt = k(4)*x(2)-(k(6)+k(7)+k(10))*x(5);. a- p% e. c. y: b, K
dxdt = [dGldt; dFrdt; dFadt; dLadt; dHmdt];& T5 X% `3 N+ f
5 l* b$ R" Y3 J$ I
0 D6 `: j/ `; }) X+ P
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