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    Gamma PhiFormulationVersion2

    Uploaded by

    Icecold Yelo
    This document describes the calculation of a Pxy diagram for an acetone-water mixture at 65°C using the gamma-phi method with NRTL and virial equations of state truncated to two terms. It provides the necessary parameters and equations to calculate vapor pressures, activity coefficients, and phase equilibrium pressures in order to plot the pressure as a function of mole fraction and composition. The calculations are performed in a loop that iteratively solves for the pressure until convergence within 0.001 bars is reached.

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    © All Rights Reserved
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    Gamma PhiFormulationVersion2

    Uploaded by

    Icecold Yelo
    78 views3 pages
    This document describes the calculation of a Pxy diagram for an acetone-water mixture at 65°C using the gamma-phi method with NRTL and virial equations of state truncated to two terms. It provides the necessary parameters and equations to calculate vapor pressures, activity coefficients, and phase equilibrium pressures in order to plot the pressure as a function of mole fraction and composition. The calculations are performed in a loop that iteratively solves for the pressure until convergence within 0.001 bars is reached.

    Original Description:

    a matlab code for gamma phi calculation

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    This document describes the calculation of a Pxy diagram for an acetone-water mixture at 65°C using the gamma-phi method with NRTL and virial equations of state truncated to two terms. It provides the necessary parameters and equations to calculate vapor pressures, activity coefficients, and phase equilibrium pressures in order to plot the pressure as a function of mole fraction and composition. The calculations are performed in a loop that iteratively solves for the pressure until convergence within 0.001 bars is reached.

    Copyright:

    © All Rights Reserved
    Download as TXT, PDF, TXT or read online from Scribd
    Download as txt, pdf, or txt
    78 views3 pages

    Gamma PhiFormulationVersion2

    Uploaded by

    Icecold Yelo
    This document describes the calculation of a Pxy diagram for an acetone-water mixture at 65°C using the gamma-phi method with NRTL and virial equations of state truncated to two terms. It provides the necessary parameters and equations to calculate vapor pressures, activity coefficients, and phase equilibrium pressures in order to plot the pressure as a function of mole fraction and composition. The calculations are performed in a loop that iteratively solves for the pressure until convergence within 0.001 bars is reached.

    Copyright:

    © All Rights Reserved
    Download as TXT, PDF, TXT or read online from Scribd
    Download as txt, pdf, or txt
    of 3

    % Gamma-Phi Scheme

    % NRTL and Virial Truncated to Two


    % Acetone(1)/Water(2) mixture
    % T = 65oC, Pxy Diagram
    clc
    clear
    T = 65 + 273.15; %temperature K
    R = 83.14; %cm3 bar mol-1 K-1
    %Antoine Equation
    A1 = 14.3145;
    B1 = 2756.22;
    C1 = 228.060;
    P1sat = exp(A1 - B1./((T-273.15) + C1) ); %for acetone
    A2 = 16.3872;
    B2 = 3885.7;
    C2 = 230.170;
    P2sat = exp(A2 - B2./((T-273.15) + C2) ); %for water
    %acetone
    omega_1 = 0.307; % accentric factor for acetone
    Tc1 = 508.2; %critical temp for acetone
    Tr1 = T./Tc1; %critical temp for acetone
    B0_1 = 0.083-0.422./((Tr1).^1.6);
    B1_1 = 0.139-0.172./((Tr1).^4.2);
    Pc1 = 47.01; %bar
    Zc1 = 0.233;
    Vc1 = 209; %cm^3 mol-1
    B_hat1 = B0_1 + omega_1.*B1_1;
    B11 = B_hat1.*Tc1.*R./Pc1 ;
    %water
    omega_2 = 0.345; % accentric factor for water
    Tc2 = 647.1; %K
    Tr2 = T./Tc2; %critical temp for water
    B0_2 = 0.083-0.422./((Tr2).^1.6);
    B1_2 = 0.139-0.172./((Tr2).^4.2);
    Pc2 = 220.55; %bar
    Zc2 = 0.229;
    Vc2 = 145; %cm^3 mol-1
    B_hat2 = B0_2 + omega_2.*B1_2;
    B22 = B_hat2.*Tc2.*R./Pc2 ;
    %acetone-water mixture
    omega_12 = 0.5.*(omega_1 + omega_2); % accentric factor for mixture
    Tc12 = (Tc1.*Tc2).^0.5; %K
    Tr12 = T./Tc12; %critical temp for mixture
    B0_12 = 0.083-0.422./((Tr12).^1.6);
    B1_12 = 0.139-0.172./((Tr12).^4.2);
    Zc12 = 0.5.*(Zc1 + Zc2);
    Vc12 = ( 0.5.*(Vc1.^(1/3) + Vc2.^(1/3)) ).^3; %cm^3 mol-1
    Pc12 = Zc12.*R.*Tc12./Vc12; %bar
    B_hat12 = B0_12 + omega_12.*B1_12;
    B12 = B_hat12.*Tc12.*R./Pc12 ;

    delta_12 = 2.*B12 - B11 - B22;


    %%%%%%%%%%%%%%% GAMMA-PHI SCHEME %%%%%%%%%%%%%%%%%%%%
    T = 65 + 273.15; %K
    PHI_OLD1 = 1;
    PHI_OLD2 = 1;
    Pgraph = [];
    y1graph = [];
    for x1 = 0:0.01:1
    %%%%%%%%%%%%%%%%%%%% GAMMA CALCULATION (NRTL) %%%%%%%%%%%%%%%%%%%%%%
    b_12= 631.05 ;%cal/mol
    b_21= 1197.41 ;%cal/mol
    alpha= 0.5343;
    %%from Table in page 474
    Tau_12= b_12/(R*T);
    Tau_21= b_21/(R*T);
    G_12= exp(-alpha*Tau_12);
    G_21= exp(-alpha*Tau_21);
    gamma1= exp(((1-x1)^2)*((Tau_21*((G_21/(x1+(1-x1)*G_21))^2)) + ((G_12*Tau_12)/(
    ((1-x1)+x1*G_12)^2))));
    gamma2= exp(((x1)^2)*((Tau_12*((G_12/((1-x1)+(x1)*G_12))^2)) + ((G_21*Tau_21)/(
    ((x1)+(1-x1)*G_21)^2))));
    %%%%%%%%%%%%%%% GAMMA-PHI SCHEME (BUBL P CALC) %%%%%%%%%%%%%%%%%%%%
    check = 10;
    while check ~= 1
    P = x1.*gamma1.*P1sat./PHI_OLD1 + (1-x1).*gamma2.*P2sat./PHI_OLD2 ; %Calcula
    tion of guess P
    y1_old = x1.*gamma1.*P1sat./( PHI_OLD1.*P); %calculation for y1
    PHI_1 = exp( (B11.*(P - P1sat) + P.*( (1-y1_old).^2 ).*delta_12)./(R.*T));
    PHI_2 = exp( (B22.*(P - P2sat) + P.*( (y1_old).^2 ).*delta_12)./(R.*T));
    P_new = x1.*gamma1.*P1sat./PHI_1 + (1-x1).*gamma2.*P2sat./PHI_2 ; %Calculati
    on of new P
    if abs(P-P_new) < 0.001
    check = 1;
    Pgraph(end+1) = P_new;
    y1graph(end+1) = y1_old;
    else
    check = 10;
    PHI_OLD1 = PHI_1;
    PHI_OLD2 = PHI_2;
    end
    end
    end
    fprintf('
    Table of Values \n');
    fprintf('
    P
    x1
    y1 \n');
    MATRIX=[ Pgraph; 0:0.01:1; y1graph;];
    disp(MATRIX');

    plot(y1graph,Pgraph, 0:0.01:1,Pgraph)
    xlabel('X1,Y1');
    ylabel('Pressure in kPa');
    title('Pxy diagram for acetone(1)/water(2) system at 65 degC ');
    legend('P-X1','P-Y1');

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