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NONLINER REGISLATION OF KINETICS MODEL(POWER-GREDE MECHANISM) C MATH MODEL: R=KR*PCOS**1*PH2O**B*PH2S**C* C WHEN WORKING CHANGE MAIN PROGRAM 129 INTO X(5,N),EE(N),YY(N),XX(N) C DATA ORDER FH2O.O/FCOS.O, W/FCOS.O, PCOS.O, X, T DIMENSION BX(3),G(4),X(5,25),EE(25),BO(4),H(4),AO(3,4),A(3,4) DIMENSION YY(25),XX(25) COMMON/GY2/X COMMON/GY1/Q $DEBUG WRITE(*,234) 234 FORMAT(7X,'N I2') READ(*,*) N WRITE(*,345) 345 FORMAT(7X,'AO EA A B ') 404 READ(*,*) BX OPEN(2,FILE='D65.DAT') OPEN(1,FILE='RLIN4.DAT') WRITE(1,654) 654 FORMAT(7X,'X(5,28) F8.5 3F7.5 F4.0') READ(2,*) X WRITE(1,999) X 999 FORMAT(10X,5E15.6) GN=0.9 M=3 WRITE(1,1000) M,N,BX,GN 1000 FORMAT(7X,2I5/4E18.7/F7.3) M1=M+1 CALL LSN(M,M1,N,BX,G,EE,E,BO,H,A,AO,1.E-3,900,GN,1.E-6) C CALL SUM(N,EE,E,BX,M) IF(M1-1024) 405,404,405 405 WRITE(1,8989) 8989 FORMAT(10X,'AO Ea A B ') WRITE(1,231) BX 231 FORMAT(3X,5E15.6) YA=0. SR=0. ST=0. SE=0. DO 0909 K=1,N CALL CCH(K,E2,BX,M,N,R2) XX(K)=1.-R2/X(2,K) YY(K)=R2 0909 YA=YA+YY(K) WRITE(1,678) 678 FORMAT(7X,'W/FCOS.0e W/FCOS.0c 1.-W/FCOS.0c/W/FCOS.0e 1 W/FCOS.0e-W/FCOS.0c') WRITE(1,099) 099 FORMAT(7X,'-----------------------------------------------') WRITE(1,2389) (X(2,I),YY(I),EE(I),XX(I),I=1,N) 2389 FORMAT(3X,4(3X,F8.4)) WRITE(1,5678) Q 5678 FORMAT(7X,'SSR=',E15.6) YA=YA/N DO 0009 K=1,N SR=SR+(YY(K)-YA)**2 SE=SE+(X(2,K)-YY(K))**2 0009 ST=ST+(X(2,K)-YA)**2 ST1=SE+SR RR=1.-SE/ST1 SRA=SR/M SEA=SE/(N-M-1) FFF=SRA/SEA WRITE(1,0011) 0011 FORMAT(2X,'SR SE ST F R**2 ST1') WRITE(1,0088) SR,SE,ST,FFF,RR,ST1 0088 FORMAT(2X,6E15.6) WRITE(1,0808) SRA,STA 0808 FORMAT(2X,'SRA=',E12.6,5X,'SEA=',E12.6) CLOSE(2) $NODEBUG STOP END SUBROUTINE PDS(K,M1,G,BX,M,N) DIMENSION X(5,25),G(M1),BX(M),YY(25) COMMON/GY2/X AKE=BX(1)*EXP(-BX(2)/8.314/(X(5,K)+273.15)) PA=(X(3,K)*(1.-X(4,K))) PB=(X(3,K)*(X(1,K)-X(4,K)))**BX(3) G(1)=X(4,K)/(BX(1)*AKE*PA*PB) G(2)=-X(4,K)*EXP(BX(2)/8.314/(X(5,K)+273.15)) * /(BX(1)*PA*PB*8.314*(X(5,K)+273.15)) G(3)=-G(1)*BX(1)*ALOG(X(3,K)*(X(1,K)-X(4,K))) RETURN END SUBROUTINE CCH(K,E2,BX,M,N,R2) DIMENSION X(5,25),BX(M),YY(25) COMMON/GY2/X AKE=BX(1)*EXP(-BX(2)/(8.314*(X(5,K)+273.15))) PA=(X(3,K)*(1.-X(4,K))) PB=(X(3,K)*(X(1,K)-X(4,K)))**BX(3) R2=-X(4,K)/(AKE*PA*PB) E2=X(2,K)+R2 C R2=X(4,K)/(AKE*PA*PB) WRITE(*,*) E2 RETURN END SUBROUTINE LSN(M,M1,N,B,G,EE,E,BO,H,A,AO,ERR,MAXP,GN,EPS) DIMENSION B(M),G(M1),EE(N),BO(M),H(M1),A(M,M1),AO(M,M1) $debug COMMON/GY1/Q 10 LP=0 IF(GN-1.0)12,11,12 11 D=0. GOTO 13 12 D=0.01 13 CALL SUM(N,EE,E,B,M) 20 LP=LP+1 QO=Q DO 21 I=1,M 21 BO(I)=B(I) DO 22 I=1,M DO 22 J=1,M1 22 AO(I,J)=0. 30 DO 31 K=1,N CALL PDS(K,M1,G,B,M,N) G(M+1)=EE(K) DO 31 I=1,M Q=G(I) DO 31 J=1,M1 31 AO(I,J)=AO(I,J)+Q*G(J) DO 35 I=1,M Q=AO(I,I) IF(Q) 106,106,35 35 H(I)=1.0/SQRT(Q) H(M+1)=1.0/SQRT(QO) DO 37 I=1,M Q=H(I) I1=I+1 DO 37 J=I1,M1 37 AO(I,J)=AO(I,J)*Q*H(J) 40 IF(D.GE.0.0000002) D=D/10. W=1. DO=D 45 DO 42 I=1,M DO 42 J=1,M1 42 A(i,j)=AO(I,J) DO 51 I=1,M I1=I+1 DO 51 J=I1,M 51 A(J,I)=A(I,J) DO 52 I=1,M 52 A(I,I)=1.0+D CALL GS(A,M,M1,EPS) 60 DO 61 I=1,M G(I)=A(I,M+1)*H(I) 61 B(I)=BO(I)+G(I) WRITE(*,006) 006 FORMAT(7X,'***********') WRITE(*,008) (B(I),I=1,M) 008 FORMAT(7X,E15.6) WRITE(*,005) 005 FORMAT(7X,'**********') 70 CALL SUM(N,EE,E,B,M) IF(Q.LE.1.1365E-02) GOTO 100 IF(DO-D) 80,71,71 71 DO 72 I=1,M IF(ABS(G(I))/(ABS(B(I))+0.01).LE.ERR) go to 72 GO TO 80 72 CONTINUE GO TO 100 80 IF(Q-QO)81,84,84 81 IF(LP-MAXP)20,102,102 84 IF(GN-1.)85,81,85 85 IF(D-20.)86,90,90 86 D=D*10. GOTO 45 90 W=W/4. IF(W) 92,104,92 92 DO 93 I=1,M 93 B(I)=BO(I)+W*G(I) WRITE(*,0909)B 0909 FORMAT(E15.6) CALL SUM(N,EE,E,B,M) IF(Q.LE.1.1356E-02) GOTO 100 IF(Q-QO) 20,90,90 100 E=Q GOTO 110 102 WRITE(*,103) 103 FORMAT(4X,'FALL',6X,'MAXP*OV*') GOTO 109 104 WRITE(*,105) 105 FORMAT(4X,'FALL',6X,'D=100',4X,'W=0.') GOTO 109 106 WRITE(*,107) 107 FORMAT(4X,'FALL',6X,'A(I,I)=0.') 109 M1=1024 110 Q=E RETURN END SUBROUTINE SUM(N1,EE1,E1,B,M) DIMENSION EE1(N1),B(M) common/gy1/q Q=0. DO 200 K=1,N1 CALL CCH(K,E1,B,M,N1,R2) EE1(K)=E1 Q=E1*E1+Q 200 CONTINUE WRITE(*,009) Q 009 FORMAT(7X,'++++++++++++++=',E15.6) RETURN END SUBROUTINE GS(A,N,M,EPS) DIMENSION A(N,M) DO 50 K=1,N BMAX=0. DO 20 I=K,N IF(BMAX-ABS(A(I,K)))10,20,20 10 BMAX=ABS(A(I,K)) L=I 20 CONTINUE IF(BMAX.LT.EPS) STOP 4444 IF(L.EQ.K) GOTO 30 DO 25 J=K,M T=A(L,J) A(L,J)=A(K,J) 25 A(K,J)=T 30 T=1./A(K,K) K1=K+1 DO 40 J=K1,M A(K,J)=A(K,J)*T DO 40 I=K1,N 40 A(I,J)=A(I,J)-A(I,K)*A(K,J) 50 CONTINUE DO 60 II=2,N I=M-II I1=I+1 DO 60 J=I1,N 60 A(I,M)=A(I,M)-A(I,J)*A(J,M) RETURN END ÎÒ¶ÔFORTRAN²»ÊǺÜÁ˽⣬ϣÍûÄܽ«Õâ¸ö³ÌÐòת»»³ÉMATLABµÄ³ÌÐò´úÂëÂ𣡠»òÕßÄܸøÎÒ½âÎöÒ»ÏÂÕâ¸ö³ÌÐòµÄÒâ˼£¡ ·Ç³£¸Ðл£¡ [ Last edited by ÓàÔó³É on 2010-1-23 at 22:46 ] |
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