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function equation() global Rg M T Veff P Rg=8.31; M=5.8*10^-3; T=273.15; Veff=1; P=10000; n0=[53.156*10^-3 0 0 5.98*10^-9 0 0 0 0]; n=fsolve(@myfun,n0); end function F=myfun(n) global Rg M T Veff P n1=n(1); n2=n(2); n3=n(3); n4=n(4); n5=n(5); n6=n(6); n7=n(7); n8=n(8); kf1=1.912*10^(23)*(T^(-1.83))*exp(-1.185*10^5/(8.31*T)); kr1=2.2*10^(22)*(T^(-2))*exp(0/(8.31*T)); kf2=4.515*10^(17)*(T^(-0.64))*exp(-1.189*10^5/(8.31*T)); kr2=6.165*10^(15)*(T^(-0.5))*exp(0/(8.31*T)); kf3=2.97*10^(6)*(T^(2.02))*exp(-1.34*10^4/(8.31*T)); kr3=1.465*10^(5)*(T^(2.11))*exp(2.904*10^3/(8.31*T)); kf4=1.475*10^(12)*(T^(0.6))*exp(0/(8.31*T)); kr4=3.09*10^(12)*(T^(0.53))*exp(-4.887*10^4/(8.31*T)); kf5=2.667*10^(4)*(T^(2.65))*exp(-4.88*10^3/(8.31*T)); kr5=3.82*10^(12)*(T^(0))*exp(-7.948*10^3/(8.31*T)); kf6=2.298*10^(9)*(T^(1.4))*exp(-1.832*10^4/(8.31*T)); kr6=2.16*10^(8)*(T^(1.52))*exp(-3.45*10^3/(8.31*T)); kf7=3.25*10^(13)*(T^(0))*exp(0/(8.31*T)); kr7=3.252*10^(12)*(T^(0.33))*exp(-5.328*10^4/(8.31*T)); kf8=7.079*10^(13)*(T^(0))*exp(-2.95*10^2/(8.31*T)); kr8=2.027*10^(10)*(T^(-0.72))*exp(-3.684*10^4/(8.31*T)); kf9=1.838*10^(10)*(T^(0.59))*exp(-3.089*10^4/(8.31*T)); kr9=1*10^(12)*(T^(0))*exp(0/(8.31*T)); kf10=8.66*10^(3)*(T^(2.68))*exp(-1.856*10^4/(8.31*T)); kr10=9.550*10^(6)*(T^(2))*exp(-3.97*10^3/(8.31*T)); kf11=1.66*10^(13)*(T^(0))*exp(-8.23*10^2/(8.31*T)); kr11=3.164*10^(12)*(T^(0.35))*exp(-5.551*10^4/(8.31*T)); kf12=1*10^(14)*(T^(-0.37))*exp(0/(8.31*T)); kr12=2.951*10^(14)*(T^(0))*exp(-4.843*10^4/(8.31*T)); kf13=4.2*10^(14)*(T^(0))*exp(-1.198*10^4/(8.31*T)); kr13=4.624*10^(16)*(T^(-0.35))*exp(-5.067*10^4/(8.31*T)); nt=n1+n2+n3+n4+n5+n6+n7+n8; eq1=-(nt*Rg*T)/P*((kf1*(n1/Veff)*(M/Veff)-kr1*(n2/Veff)*(n3/Veff)*(M/Veff))+(kf3*(n1/Veff)*(n5/Veff)-kr3*(n3/Veff)*(n3/Veff))+(kf6*(n1/Veff)*(n2/Veff)-kr6*(n7/Veff)*(n3/Veff))+(kf9*(n1/Veff)*(n6/Veff)-kr9*(n8/Veff)*(n3/Veff))); eq2=-(nt*Rg*T)/P*((kr1*(n2/Veff)*(n3/Veff)*(M/Veff)-kf1*(n1/Veff)*(M/Veff))+(kf4*(n2/Veff)*(n4/Veff)*(M/Veff)-kr4*(n6/Veff)*(M/Veff))+(kf5*(n2/Veff)*(n3/Veff)-kr5*(n5/Veff)*(n7/Veff))+(kf6*(n2/Veff)*(n1/Veff)-kr6*(n3/Veff)*(n7/Veff))+(kf8*(n2/Veff)*(n6/Veff)-kr8*(n3/Veff)*(n3/Veff))+(kf11*(n6/Veff)*(n2/Veff)-kr11*(n7/Veff)*(n4/Veff))); eq3=-(nt*Rg*T)/P*((kr1*(n2/Veff)*(n3/Veff)*(M/Veff)-kf1*(n1/Veff)*(M/Veff))+(2*kr3*(n3/Veff)*(n3/Veff)-kr3*(n1/Veff)*(n5/Veff))+(kf5*(n2/Veff)*(n3/Veff)-kr5*(n5/Veff)*(n7/Veff))+(kr6*(n3/Veff)*(n7/Veff)-kf6*(n2/Veff)*(n1/Veff))+(kr7*(n3/Veff)*(n4/Veff)-kf7*(n6/Veff)*(n5/Veff))+(2*kr8*(n3/Veff)*(n3/Veff)-kf8*(n6/Veff)*(n2/Veff))+(kr9*(n8/Veff)*(n3/Veff)-kf9*(n1/Veff)*(n6/Veff))+(kf10*(n3/Veff)*(n6/Veff)-kr10*(n8/Veff)*(n5/Veff))+(2*kf12*(n3/Veff)*(n3/Veff)*(M/Veff)-kr11*(n8/Veff)*(M/Veff))); eq4=-(nt*Rg*T)/P*((kf2*(n4/Veff)*(M/Veff)-kr2*(n5/Veff)*(n5/Veff)*(M/Veff))+(kf4*(n2/Veff)*(n4/Veff)*(M/Veff)-kr4*(n6/Veff)*(M/Veff))+(kr7*(n3/Veff)*(n4/Veff)-kf7*(n6/Veff)*(n5/Veff))+(kr11*(n7/Veff)*(n4/Veff)-kf11*(n6/Veff)*(n2/Veff))+(kr13*(n8/Veff)*(n4/Veff)-kf13*(n6/Veff)*(n6/Veff))); eq5=-(nt*Rg*T)/P*((2*kr2*(n5/Veff)*(n5/Veff)*(M/Veff)-kf2*(n4/Veff)*(M/Veff))+(kf3*(n1/Veff)*(n5/Veff)-kr3*(n3/Veff)*(n3/Veff))+(kr5*(n5/Veff)*(n7/Veff)-kf5*(n2/Veff)*(n3/Veff))+(kf7*(n6/Veff)*(n5/Veff)-kr7*(n3/Veff)*(n4/Veff))+(kr10*(n8/Veff)*(n5/Veff)-kf10*(n3/Veff)*(n6/Veff))); eq6=-(nt*Rg*T)/P*((kr4*(n6/Veff)*(M/Veff)-kf4*(n2/Veff)*(n4/Veff)*(M/Veff))+(kf7*(n6/Veff)*(n5/Veff)-kr7*(n3/Veff)*(n4/Veff))+(kf8*(n6/Veff)*(n2/Veff)-kr8*(n3/Veff)*(n3/Veff))+(kf9*(n1/Veff)*(n6/Veff)-kr9*(n3/Veff)*(n8/Veff))+(kf10*(n3/Veff)*(n6/Veff)-kr10*(n8/Veff)*(n5/Veff))+(kf11*(n6/Veff)*(n2/Veff)-kr11*(n7/Veff)*(n4/Veff))+(2*kf13*(n6/Veff)*(n6/Veff)-kr13*(n8/Veff)*(n4/Veff))); eq7=-(nt*Rg*T)/P*((kr5*(n5/Veff)*(n7/Veff)-kf5*(n2/Veff)*(n3/Veff))+(kr11*(n4/Veff)*(n7/Veff)-kf11*(n6/Veff)*(n2/Veff))); eq8=-(nt*Rg*T)/P*((kr9*(n3/Veff)*(n8/Veff)-kf9*(n1/Veff)*(n6/Veff))+(kr10*(n8/Veff)*(n5/Veff)-kf10*(n3/Veff)*(n6/Veff))+(kr12*(n8/Veff)*(M/Veff)-kf12*(n3/Veff)*(n3/Veff)*(M/Veff))+(kr13*(n8/Veff)*(n4/Veff)-kf13*(n6/Veff)*(n6/Veff))); F=[eq1;eq2;eq3;eq4;eq5;eq6;eq7;eq8]; end |
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