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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
' h8 A3 K$ }* M. v: i+ g4 |- G% k1->k-1,k2->k1,k3->k2,k4->k3,k5->k4
7 u7 x" f4 m2 F2 D8 f% k6->k6 k7->k7
; ?$ n; M$ P: c4 ^/ _+ t% G4 Y% dGlcdt = k-1*C(Fru)-(k1+k2)*C(Glc);8 ^6 W+ I- A4 s# o' _4 D
% dFrudt = k1*C(Glc)-(k-1+k3+k4)C(Fru);
7 r* I- X% c; Q% dFadt = k(2)*C(Glc)+k4*C(Fru)+(k6+k7)*C(Hmf);
- Q, p3 _+ K) C+ p) d7 D* \" [& b% dLadt = k(7)*C(Hmf);2 I+ ?* ~, w, f- w5 s
%dHmfdt = k(3)*C(Fru)-(k6+k7)*C(Hmf);
& ^, m3 \6 g0 ^: Qclear all
1 O3 h: c& s; h9 G1 Z; B F: yclc, D9 j7 A" }: m- g C5 X
format long1 D G" ` S. M, q( }& p g
% t/min Glc Fru Fa La HMF/ mol/L
0 O# L" R/ U, x s( F( n% F) S1 a, _ Kinetics=[0 0.25 0 0 0 0. L6 N; K7 f% [! H: p
15 0.2319 0.01257 0.0048 0 2.50E-040 X1 Q7 v, _4 }% D! k% ]! l0 n* C
30 0.19345 0.027 0.00868 0 7.00E-04
6 p2 J, ~1 f" ^( \ 45 0.15105 0.06975 0.02473 0 0.0033! @& i0 W7 w. {
60 0.13763 0.07397 0.02615 0 0.00428
$ b, _: a+ L0 U1 j 90 0.08115 0.07877 0.07485 0 0.01405% Z/ z( {3 V, S: S2 {
120 0.0656 0.07397 0.07885 0.00573 0.02143
2 n% z. [+ j- q" R" O 180 0.04488 0.0682 0.07135 0.0091 0.036234 d4 h7 N( l" v* z @ H6 I( K( a
240 0.03653 0.06488 0.08945 0.01828 0.05452
4 p2 P+ ? m) x2 D4 s% o9 V, Q 300 0.02738 0.05448 0.09098 0.0227 0.0597" Z1 t8 J* t/ A
360 0.01855 0.04125 0.09363 0.0239 0.06495];' ]8 c2 q( q8 ]8 ~' Q5 b
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" r4 O6 u3 i/ c& g
lb = [0 0 0 0 0 0 0 0 0 0]; % 参数下限
$ a: O* Z7 T" S: T& z8 Y& c* sub = [1 1 1 1 1 1 1 1 1 1]; % 参数上限0 [ ^- A* \. `7 |
x0 = [0.25 0 0 0 0];
* L! \& \( _$ G) z u }# Q2 ?yexp = Kinetics; % yexp: 实验数据[x1 x4 x5 x6]; X. Z7 G* \5 X" b/ W; Z# X
% warning off
0 K* [" ]* H5 _$ s, O% 使用函数 ()进行参数估计
' h7 U" U1 S# @7 t, e# d% w/ ~[k,fval,flag] = fmincon(@ObjFunc7Fmincon,k0,[],[],[],[],lb,ub,[],[],x0,yexp);
2 ?. b& z- U- r7 xfprintf('\n使用函数fmincon()估计得到的参数值为:\n')
7 y9 J7 w: x2 V6 e& yfprintf('\tk1 = %.11f\n',k(1))
6 h1 u* ~/ X: [6 @+ M4 S3 lfprintf('\tk2 = %.11f\n',k(2))8 E, ~! O' H3 J8 D/ _
fprintf('\tk3 = %.11f\n',k(3))3 c# @ ]5 S7 |7 G. X! z
fprintf('\tk4 = %.11f\n',k(4))6 L+ d' r4 b4 w4 y0 G
fprintf('\tk5 = %.11f\n',k(5))
% t$ q w! q6 A' y, ^; O7 Afprintf('\tk6 = %.11f\n',k(6)): K& ~8 l) f2 Z; p
fprintf('\tk7 = %.11f\n',k(7)). T1 N4 x1 |; @% ]: t1 N
fprintf('\tk8 = %.11f\n',k(8))* v6 U" Y+ b$ r1 l/ o
fprintf('\tk9 = %.11f\n',k(9))
7 d4 [: G' [1 t+ F q5 S" X, K$ [fprintf('\tk10 = %.11f\n',k(10))
5 h. w: ]+ B7 B$ sfprintf(' The sum of the squares is: %.1e\n\n',fval)# i% D0 y- t, K7 T& q# {
k_fm= k;2 V2 _8 z1 w8 `+ f# p& j9 n; A
% warning off6 T9 ~* C9 G1 f- H
% 使用函数lsqnonlin()进行参数估计+ r( d" K1 Q# l# e" F3 u
[k,resnorm,residual,exitflag,output,lambda,jacobian] = ...
0 g7 @# Z, C9 R6 v' B lsqnonlin(@ObjFunc7LNL,k0,lb,ub,[],x0,yexp);
. ^+ z7 ]; P+ _" o% [2 Cci = nlparci(k,residual,jacobian);# C) U4 B: |% |. }' `# V
fprintf('\n\n使用函数lsqnonlin()估计得到的参数值为:\n')
6 x G; h4 v! o) z5 d* s$ Q; |2 pfprintf('\tk1 = %.11f\n',k(1))
$ t3 g3 z V1 pfprintf('\tk2 = %.11f\n',k(2))- t& h9 S( W ]* [5 p4 r0 f
fprintf('\tk3 = %.11f\n',k(3))
; J& l3 f) B! K1 H. G& w: Jfprintf('\tk4 = %.11f\n',k(4))2 L3 q8 k0 r+ @- }: G
fprintf('\tk5 = %.11f\n',k(5))
4 p$ j% q1 e& [- h+ Efprintf('\tk6 = %.11f\n',k(6))
$ y7 j( [- b1 E ?! ~fprintf('\tk7 = %.11f\n',k(7)) \+ c) u( x7 T( c! Z5 `4 q1 S
fprintf('\tk8 = %.11f\n',k(8))
2 k$ v8 J, U N/ [" f- T# u1 Z8 U: sfprintf('\tk9 = %.11f\n',k(9))3 U( V# p$ i" X6 Z0 E
fprintf('\tk10 = %.11f\n',k(10))
4 f" i& G+ n2 ~fprintf(' The sum of the squares is: %.1e\n\n',resnorm)
9 h% }3 s7 T9 L2 ^8 r2 Tk_ls = k;; e+ N& r) w" Y! h
output
' }. c$ ~6 n. G1 f6 @warning off
I/ g3 i4 k; r9 ~" \ e- ~0 U: p% 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
8 E3 r! N4 ]* z* c' ~6 Ok0 = k_fm;
/ y, t1 F5 U4 h8 C3 N6 v' k[k,resnorm,residual,exitflag,output,lambda,jacobian] = ...
+ M. w6 L+ n& _' h% u' z lsqnonlin(@ObjFunc7LNL,k0,lb,ub,[],x0,yexp); ' O8 S+ H9 A8 E r/ B& ^5 @2 h# V
ci = nlparci(k,residual,jacobian);3 a+ d( C: T% s7 C: 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')
# Z3 ^8 _2 C( z. h9 Z- Rfprintf('\tk1 = %.11f\n',k(1))
& [; E) N; a7 h0 e3 x# Efprintf('\tk2 = %.11f\n',k(2))' m, e& c: ]# N" v
fprintf('\tk3 = %.11f\n',k(3))
1 \) \5 }1 W, ?0 _( I2 kfprintf('\tk4 = %.11f\n',k(4))
p& q, k: G- yfprintf('\tk5 = %.11f\n',k(5))" E' A2 M, } I& S; i5 [
fprintf('\tk6 = %.11f\n',k(6))
' w" `5 ~) U2 K. v2 U- @* Z hfprintf('\tk7 = %.11f\n',k(7)). M; W: S. s* t' |0 f! b U' ~
fprintf('\tk8 = %.11f\n',k(8))
2 w& N. }$ Z; k. z4 y$ hfprintf('\tk9 = %.11f\n',k(9))
& G" e3 p- ?9 J- Ifprintf('\tk10 = %.11f\n',k(10))
: m0 K1 u$ e/ e5 `+ G+ G. K. {fprintf(' The sum of the squares is: %.1e\n\n',resnorm); p1 Q( u$ B* h3 L
k_fmls = k;
' H9 J( Z& g8 U* }! }. k( Voutput
0 q8 n3 Q e* c' i1 l9 s# r8 V# ktspan = [0 15 30 45 60 90 120 180 240 300 360];( x' l' G' _3 ]
[t x] = ode45(@KineticEqs,tspan,x0,[],k_fmls); 7 \0 Q: ^" f' f" c7 u n
figure;
7 B8 p$ N2 s; f4 t1 {3 splot(t,x(:,1),t,yexp(:,2),'*');legend('Glc-pr','Glc-real')8 ?0 m4 @# u2 j
figure;plot(t,x(:,2:5));
9 h0 ?4 t! k1 N3 k" c+ Tp=x(:,1:5)! ]( [' B/ A- `7 ]
hold on
~7 c O) Y$ O* Y/ }. e+ Lplot(t,yexp(:,3:6),'o');legend('Fru-pr','Fa-pr','La-pr','HMF-pr','Fru-real','Fa-real','La-real','HMF-real')3 l8 W+ u5 j- k1 x5 s+ L
& j2 J" W$ v2 `+ B
# D3 l E# u7 Z( _8 I. U
6 Y' c7 E+ U6 qfunction f = ObjFunc7LNL(k,x0,yexp)0 Z" i) m3 F5 Q v8 t7 o/ Q
tspan = [0 15 30 45 60 90 120 180 240 300 360];
5 x& E8 u% g _' i( D0 l[t, x] = ode45(@KineticEqs,tspan,x0,[],k); 7 d- h% R8 w4 C3 N
y(:,2) = x(:,1);- H. @) e! C6 t5 t" `
y(:,3:6) = x(:,2:5);
4 N6 V: N# m5 x1 H3 w! @f1 = y(:,2) - yexp(:,2);
2 i7 ?) H8 w4 F0 X8 P. [" Kf2 = y(:,3) - yexp(:,3);& `1 B% c' T8 N
f3 = y(:,4) - yexp(:,4);
+ F+ z) G- h* A: B0 L! I, Af4 = y(:,5) - yexp(:,5);
: [) w6 |6 \) j$ L; Q! I. ]( sf5 = y(:,6) - yexp(:,6);
- ~6 }" h( P3 u# u* y: ~f = [f1; f2; f3; f4; f5];0 |; v' @$ L7 ^1 w- N1 [ O% d
( a% }+ }( `+ X1 `. L9 K6 R& z* T& C
8 c, t' Y3 @- \" ?6 _6 |6 b0 e
function f = ObjFunc7Fmincon(k,x0,yexp)
I J8 b* I& S& ^% etspan = [0 15 30 45 60 90 120 180 240 300 360];; H6 P" U3 ]$ M; O8 R
[t x] = ode45(@KineticEqs,tspan,x0,[],k);
]. i( a. y) @3 Oy(:,2) = x(:,1);; r1 B3 C5 S5 J) w! c4 \3 `
y(:,3:6) = x(:,2:5);* B' a: G* K* k% r) y5 u7 ^
f = sum((y(:,2)-yexp(:,2)).^2) + sum((y(:,3)-yexp(:,3)).^2) ...
# r: d; P( ~4 o" s6 D: d- Y + sum((y(:,4)-yexp(:,4)).^2) + sum((y(:,5)-yexp(:,5)).^2) ...
8 M4 \" q6 | p. Z + sum((y(:,6)-yexp(:,6)).^2) ;+ }, r2 @+ [- Q; m& D# P* ]0 q3 B1 r
3 M# K0 x w% v
+ v3 s6 d- L$ j7 P& L" L& C6 m# E- E" Q n( m/ L
# i7 x$ p' D, p% E
function dxdt = KineticEqs(t,x,k)) ]* J3 K. C6 b* x& {
dGldt = k(1)*x(2)-(k(2)+k(3)+k(8))*x(1); X' `4 A4 Y M5 e) ?
dFrdt = k(2)*x(1)-(k(1)+k(4)+k(5)+k(9))*x(2);
0 k; i( S/ s3 {dFadt = k(3)*x(1)+k(5)*x(2)+(k(6)+k(7))*x(5);
" Y/ l. t4 f6 {* z6 ~3 w- z/ MdLadt = k(7)*x(5);8 ?( C! t! z& o4 S. i' I/ ?2 s
dHmdt = k(4)*x(2)-(k(6)+k(7)+k(10))*x(5);7 R6 s, f- H% n, k! |0 T
dxdt = [dGldt; dFrdt; dFadt; dLadt; dHmdt];
4 L+ Y) {1 ^- i) d5 A! }) @9 i0 y4 Y# \, _1 _; w3 f
/ i9 Q7 z9 S$ N0 [, U. U
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