MATLAB PROGRAMMING STRATEGY FOR VLE WITH EOS

Refer to Second Assignment

yi=[.......; ........]; % feed composition in mole fraction P =......; % Define system pressure in Pa R =........; % in m3 Pa mol-1 K-1 An=[.....;......]; Bn=[....; .....]; Cn=[....,.....]; % Antoine Equation Constant Guess Temperature (T); Calc. Psat from Antoine Equation Calc. Ki from Shortcut Method/Raoult (Ki=Pisat/P) Calc. xi (xi=Ki/yi) ==> untuk menghitung iL , V untuk first iteration i Awal Outer Loop dengan kondisi set temporary variable: dif1=0; sum_xi_old=sum(xi); while (dif1 > 1E-5); % Outer Loop Calc. mixing rule: B, B , Z, A , etc. needed by fugacity calculation k ij

iL , V i Calc.

(no need at second loop and so on) set temporary var: dif2=1; while (dif2 > 1E-5) Calc. Ki (Ki= L/ v) i i

... (cont....2)

Calc. xi=yi/Ki Calc. sum_xi Calc. dif2 = abs (sum_xi_old sum_xi) set: sum_xi_old=sum_xi normalize: xi=xi/sum_xi Calc. mixing rule: B, Bk, Z, Aij, etc. needed by fugacity calculation with new xi Calc. iL with new xi

end; %(inner loop) calc. condition: dif1=abs(1-sum_xi); % T guess adjustment if (sum_xi > 1); T=T+0.1; % 0.1 can be adjusted elseif (sum_xi < 1); T=T-0.1; % 0.1 can be adjusted end end ; %(outer loop)

clc clear % feed composition: yio=[0.5;0.5]; %C5H12 and C4H10 initial composition P=14 bar; %total presure = 14 bar P=P*1E5; % P in Pa % define critical Properties of pentane and butane Tc=[469.7; 425.2]; %pentane and butane (K) Pc=[3.369; 3.797]; % (MPa) Pc=Pc/1000; % Pc in Pa w= ; % omega critical R=8.314; % R in m3.Pa/mol.K An=[ ; ]; % Antoine Constant Bn=[ ; ]; % Antoine Constant Cn=[ ; ]; % Antoine Constant T= ; % Guess Temperature Psat=10.^(A-(B./(T+C))); % Calculate P saturated using Antoine Kio=Psat/P; % Calculate Ki from Raoult Law for first iteration xio=Kio./yio; % Calculate xi for computing phiL & phiV at first iteration

% set temporary vaiables dif1=0; sum_xi_old=sum(xio); yi=yio; xi=xio; kij=0; % binary interaction parameters while (dif1 > 1E-5); % Outer Loop % Calculate mixing rule Kappa=0.37464 + 1.54226*w -0.26993*w.^2; % Kappa [C5H12 dan C4H10] Alfa=(1+Kappa.*(1-sqrt(T./Tc))).^2; % Alfa [C5H12 dan C4H10] b=0.07779607*R*Tc./Pc; % b pure component [C5H12 dan C4H10] ac=0.45723553*((R^2.*Tc.^2)./Pc); % ac [C5H12 dan C4H10] a=ax.*Alfa; % a pure component [C5H12 dan C4H10] Bi=b*P/(R*T); % Bi for component i in solution Ai=a*P/(R^2*T^2); % Ai for component i in solution % Calculate A & B for from mixing rule Bt=0; At=0; for i=1:length(yio) B(i)=yi(i)*Bi(i); Ajt=0; for j=1:length(yio) Aij(j)=sqrt(Ai(i)*Ai(j))*(1-kij); Ajt=Ajt+Aij(j); end At=At+Ajt; Bt=Bt+B(i); end B=Bt; % B from mixing rule A=At; % A from mixing rule

% Calculate Compressibility Factor from EOS (Z) Z= % Calculate Fugacity coefficient (phiL) for k=1:length(yio) phi1=-(log(Z-B)); phi2=Bi(k)*(Z-1)/B; phi3=(A/(B*sqrt(8)))*log((Z+(1+sqrt(2))*B)/(Z+(1-sqrt(2))*B); sphi4t=0; for j=1:length(yio) Ajk=sqrt(Ai(j)*Ai(k))*(1-kij); sphi4t=sphi4t + xi(j)*Ajk; end phi4=phi3*((2*sphi4t/A) - (B(k)/B)); phiL(k)=phi1+phi2-phi4; end % Calculate Fugacity coefficient (phiV) for k=1:length(yio) phi1=-(log(Z-B)); phi2=Bi(k)*(Z-1)/B; phi3=(A/(B*sqrt(8)))*log((Z+(1+sqrt(2))*B)/(Z+(1-sqrt(2))*B); sphi4t=0; for j=1:length(yio) Ajk=sqrt(Ai(j)*Ai(k))*(1-kij); sphi4t=sphi4t + yi(j)*Ajk; end phi4=phi3*((2*sphi4t/A) - (B(k)/B)); phiV(k)=phi1+phi2-phi4; end

%set temporary variable for inner loop dif2=0; while (dif2 > 1E-5); % inner loop Ki=phiL./phiV; % Ki [C5H12; C4H10] xi=yi./Ki; sum_xi=sum(xi); dif2=abs(sum_xi_old - sum_xi); sum_xi_old=sum_xi; xi=xi./sum_xi; % normalize xi for next iteration % Calculate Fugacity coefficient (phiL) at new xi for k=1:length(yio) phi1=-(log(Z-B)); phi2=Bi(k)*(Z-1)/B; phi3=(A/(B*sqrt(8)))*log((Z+(1+sqrt(2))*B)/(Z+(1-sqrt(2))*B); sphi4t=0; for j=1:length(yio) Ajk=sqrt(Ai(j)*Ai(k))*(1-kij); sphi4t=sphi4t + xi(j)*Ajk; end phi4=phi3*((2*sphi4t/A) - (B(k)/B)); phiL(k)=phi1+phi2-phi4; end end; % end of inner loop dif1=abs(1-sum_xi; % T guess adjustment if (sum_xi > 1); T=T+0.1; % 0.1 can be set elseif (sum_xi < 1); T=T-0.1; % 0.1 can be set end end; % end of Outer Loop