clc clear close all %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% %% USER INPUT %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% % Define fluid paramters: % Elongation L and dipole moment mu (2CLJD fluid) % Elongation and quadrupole moment Q (2CLJQ fluid) % L = 0.809997654705666; % reduced elongation L* L = 0.67; % reduced elongation L* % m = []; % squared reduced dipole moment µ*² m = 6.99993; % squared reduced dipole moment µ*² % q = 3.303635; % squared reduced quadrupole moment Q*² q = []; % squared reduced quadrupole moment Q*² % valid range for 2CLJD fluid: L = [0,1] and m = [0,20] % valid range for 2CLJD fluid: L = [0,0.8] and q = [0,5] % !!! Combination of mu and Q are not possible !!! --> set one variable to x = [] T_min = 0.2; % lowest temperature at which char. curves are calculated at. ZenoCurveCalcMode = 'Zroute'; % decide whether density of Zeno curves should be adresses by direct fit results fom MD correlation ('directfit') % or are received by evaluating the thermodynamic condition Z = 1 from with the pressure correlation results ('Zroute') %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% %% convert user input to variables for script %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% if ~isempty(m) && ~isempty(q) error('Combinations of m and q are not possible. Define only one parameter and set the other to "= []" ') end if ~isempty(m) multipole_type = 'dipole'; multipole_type_abb = '\mu*²'; y = m; elseif ~isempty(q) multipole_type = 'quadrupole'; multipole_type_abb = 'Q*²'; y = q ; end %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% %% calculate VLE %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% % Using the correaltion by [1] for the 2CLJD fluid and [2] for the 2CLJQ fluid % % [1] Jürgen Stoll, Jadran Vrabec, Hans Hasse Fluid Phase Equilibria Volume 209, Issue 1, 30 June 2003, Pages 29-53 DOI: 10.1016/S0378-3812(03)00074-8 % [2] Jürgen Stoll, Jadran Vrabec, Hans Hasse, Johann Fischer Fluid Phase Equilibria 179 (2001) 339–362 DOI: 10.1016/S0378-3812(00)00506-9 % 2CLJD if strcmpi(multipole_type,'dipole') T_c = 1.454013+136.3894*m/(88+m)^2+2020.243*m^2/(88+m)^3+0.3269772/(0.1+L^2)+0.04910240/(0.1+L^5)+42.39005*m/((88+m)^2*(0.1+L^2))+... 672.4083*m^2/((88+m)^3*(0.1+L^2))+79.13876*m^2/((88+m)^3*(0.1+L^5)); rho_c = 0.3157828+9.871123*m/(88+m)^2-146.1751*m^2/(88+m)^3-0.1475616*L^2/(0.11+L^2)-0.04152214*L^5/(0.11+L^5)-10.10584*m/(88+m)^2*L^2/(0.11+L^2)+... 41.05884*m^2/(88+m)^3*L^2/(0.11+L^2)+52.99302*m^2/(88+m)^3*L^5/(0.11+L^5); C1 = 0.2951644-0.6339151*m^2/(70+m)^2+3.182745*m^3/(70+m)^3-0.2359527*L^2*exp(L)+0.5466755*L^3+1.449170*m^2/(70+m)^2*L^8/(L+0.4)-... 0.1955388*m^3/(70+m)^3*L^2/(L+0.4)^2-5.849357*m^3/(70+m)^3*L^8/(L+0.4); C21 = 0.06484789+0.7301440*m^2/(70+m)^2-8.780100*m^3/(70+m)^3-0.6551324*L^2*exp(L)+1.810641*L^3+4.808117*m^2/(70+m)^2*L^2*exp(L)+... 1.937455*m^3/(70+m)^3*L^2*exp(L)-13.20822*m^2/(70+m)^2*L^3; C31 = -0.007258204-0.6215183*m^2/(70+m)^2+4.708560*m^3/(70+m)^3+0.4316296*L^2*exp(L)-L^3*1.166922-22.15021*m/(88+m)^2*L^2/(0.4+L)^2-... -78.03181*m^2/(88+m)^3*L^2/(0.4+L)^2-0.5735507*m/(88+m)^2*L^8/(0.4+L); C22 = -0.005486341+1.223952*m^2/(70+m)^2+1.350701*m^3/(70+m)^3+0.2479957*L^2/(0.4+L)^2-0.1684560*L^8/(0.4+L)-... -19.56742*m/(88+m)^2*L^2/(0.4+L)^2-228.9032*m^2/(88+m)^3*L^2/(0.4+L)^2+722.1121*m^2/(88+m)^3*L^8/(0.4+L); C32 = 0.02574709-2.940407*m/(88+m)^2-100.8706*m^2/(88+m)^3-0.09426323*L^2/(0.4+L)^2+0.1108324*L^8/(0.4+L)+25.43158*m/(88+m)^2*L^2/(0.4+L)^2+... 59.87224*m^2/(88+m)^3*L^2/(0.4+L)^2-651.1462*m^2/(88+m)^3*L^8/(0.4+L); c1 = 4.411718+457.5129*m/(88+m)^2+2469.929*m^2/(88+m)^3-2.016356*L^2/(0.4+L)^2+0.4346103*L^8/(0.4+L)+978.7962*m^2/(88+m)^3*L^2/(0.4+L)^2+... 2467.171*m^2/(88+m)^3*L^8/(0.4+L); c2 = -26.86327-3428.826*m/(88+m)^2-87208.08*m^2/(88+m)^3+127.5315*L^2/(0.75+L)^2-139.3077*L^3/(0.75+L)^3+7248.855*m/(88+m)^2*L^2/(0.75+L)^2+... 571549.8*m^2/(88+m)^3*L^2/(0.75+L)^2-743396.2*m^2/(88+m)^3*L^3/(0.75+L)^3; c3 = -526.4689*m/(88+m)^2+6782.756*m^2/(88+m)^3+0.1812550*L^4; T = linspace(T_min,T_c, 500); % temperature for calculation for ii=1:1:length(T) rhoL(ii) = rho_c + C1*(T_c-T(ii))^(1/3)+C21*(T_c-T(ii))+C31*(T_c-T(ii))^(3/2); rhoV(ii) = rho_c - C1*(T_c-T(ii))^(1/3)+C22*(T_c-T(ii))+C32*(T_c-T(ii))^(3/2); p(ii) = exp(c1+c2/T(ii)+c3/T(ii)^4); end p_c = p(end); T_VLE = T'; rhoL_VLE = rhoL; rhoV_VLE = rhoV; p_VLE = p; end % 2CLJQ if strcmpi(multipole_type,'quadrupole') T_c = 1.507579 + 0.02047231*q^2 - 0.001291671*q^3 + 0.3319456/(0.1+L^2) + 0.04136462/(0.1+L^5) +... q^2/(0.1+L^2)*0.009755649 -q^2/(0.1+L^5)*0.001715840 -q^3/(0.1+L^2)*0.0008173578 +q^3/(0.1+L^5)*0.0002301229; rho_c = 0.3143171 +q^2*0.002469999 -q^3*0.0002422011 - L^2/(0.11+L^2)*0.1452035 - L^5/(0.11+L^5)*0.04259098 -q^2*L^2/(0.11+L^2)*0.002700883 +... q^2*L^5/(0.11+L^5)*0.002785485 + 0.0003007566*q^3*L^2/(0.11+L^2) -q^3*L^5/(0.11+L^5)*0.0005084756; C1 = 0.3019549 -q^2*0.0003796746+q^3*0.0006745920-0.01608258*L^3/(L+0.4)^3-0.5227965*L^4/(L+0.4)^5+0.01122068*q^2*L^2/(L+0.4)-... q^2*L^3/(L+0.4)^7*0.004523730-q^3*L^2/(L+0.4)*0.002711606+q^3*L^3/(L+0.4)^7*0.0003949744; C21 = 0.04955956 +q^2*0.006125793-0.001684225*q^3+L^2*0.07665178+L^3*0.04320915-q^2*L^2*0.01489510-q^2*L^3*0.002119930+q^3*L^2*0.003030791; C31 = 0.0006676718-q^2*0.002125521+q^3*0.0005591744-L*0.005007894-L^4*0.07089158+q^2*L*0.001218855+q^2*L^4*0.008615708-q^3*L^4*0.001407562; C22 = 0.01984681-q^2*0.003677042+q^3*0.001251499-L^2*0.05941681+L^3*0.05235979+q^2*L^2*0.01966272-q^2*L^3*0.007711454-q^3*L^2*0.002604483; C32 = 0.01185765+q^2*0.001556412-q^3*0.0004872161+L*0.04232978-L^4*0.0002872173-q^2*L*0.002451944-q^2*L^4*0.005240982+q^3*L^4*0.001487717; c1 = 4.333882+q^2*0.1503665-q^3*0.02085311-L^2/(L^2+0.75)*1.870607-L^3/(L^3+0.75)*0.7103387-L^2*q^2/(L^2+0.75)*0.5758677+L^3*q^2/(L^3+0.75)*0.6802547+... L^2*q^3/(L^2+0.75)*0.1358236-L^3*q^3/(L^3+0.75)*0.1916098; c2 = -26.60590-q^2*1.144385+q^3*0.1097780+L^2/(L+0.75)^2*113.8729-L^3/(L+0.75)^3*108.2939+L^2*q^2/(L+0.75)^2*11.31664-L^3*q^2/(L+0.75)^3*17.32358-... L^2*q^3/(L+0.75)^2*1.609370+L^3*q^3/(L+0.75)^3*3.026670; c3 = -q^2*0.1059248-q^5*0.003559731-L^0.5*0.8836935; T = linspace(0.2 , T_c , 500); % temperature for calculation for ii=1:1:length(T) rhoL(ii) = rho_c + C1*(T_c-T(ii))^(1/3)+C21*(T_c-T(ii))+C31*(T_c-T(ii))^(3/2); rhoV(ii) = rho_c - C1*(T_c-T(ii))^(1/3)+C22*(T_c-T(ii))+C32*(T_c-T(ii))^(3/2); p(ii) = exp(c1+c2/T(ii)+c3/T(ii)^4); end p_c = p(end); T_VLE = T'; rhoL_VLE = rhoL; rhoV_VLE = rhoV; p_VLE = p; end %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% %% calculate characteristic points ( ideal gas limit ) %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% function_T_char = @(L , y , d1,d2,d3,d4,d5,f1,f2,f3,f4,f5,f6,f7,f8,f9,f10,f11,f12) (d1 + d2*L + d3*L^2 + d4*L^3 + d5*L^4)+y*((f1+f2*L+f3*L^2)+(f4 +f5*L+f6*L^2)*y+(f7+f8*L+f9*L^2)*y^2 + (f10+f11*L+f12*L^2)*y^3); % 2CLJD if strcmpi(multipole_type,'dipole') [d1,d2,d3,d4,d5,f1,f2,f3,f4,f5,f6,f7,f8,f9,f10,f11,f12] = getparamter_Tchar('Amagat','dipole'); T_B_max = function_T_char(L , y , d1,d2,d3,d4,d5,f1,f2,f3,f4,f5,f6,f7,f8,f9,f10,f11,f12); [d1,d2,d3,d4,d5,f1,f2,f3,f4,f5,f6,f7,f8,f9,f10,f11,f12] = getparamter_Tchar('Boyle','dipole'); T_B_zero = function_T_char(L , y , d1,d2,d3,d4,d5,f1,f2,f3,f4,f5,f6,f7,f8,f9,f10,f11,f12); [d1,d2,d3,d4,d5,f1,f2,f3,f4,f5,f6,f7,f8,f9,f10,f11,f12] = getparamter_Tchar('Charles','dipole'); T_B_asymptot = function_T_char(L , y , d1,d2,d3,d4,d5,f1,f2,f3,f4,f5,f6,f7,f8,f9,f10,f11,f12); end % 2CLJQ if strcmpi(multipole_type,'quadrupole') [d1,d2,d3,d4,d5,f1,f2,f3,f4,f5,f6,f7,f8,f9,f10,f11,f12] = getparamter_Tchar('Amagat','quadrupole'); T_B_max = function_T_char(L , y , d1,d2,d3,d4,d5,f1,f2,f3,f4,f5,f6,f7,f8,f9,f10,f11,f12); [d1,d2,d3,d4,d5,f1,f2,f3,f4,f5,f6,f7,f8,f9,f10,f11,f12] = getparamter_Tchar('Boyle','quadrupole'); T_B_zero = function_T_char(L , y , d1,d2,d3,d4,d5,f1,f2,f3,f4,f5,f6,f7,f8,f9,f10,f11,f12); [d1,d2,d3,d4,d5,f1,f2,f3,f4,f5,f6,f7,f8,f9,f10,f11,f12] = getparamter_Tchar('Charles','quadrupole'); T_B_asymptot = function_T_char(L , y , d1,d2,d3,d4,d5,f1,f2,f3,f4,f5,f6,f7,f8,f9,f10,f11,f12); end %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% %% calculate characteristic curves %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% ft_parameter = @(L, y , d1,d2,d3,d4,d5,f1,f2,f3,f4,f5,f6,f7,f8,f9,f10,f11,f12 ) (d1 + d2*L + d3*L^2 + d4*L^3 + d5*L^4)+y*((f1+f2*L+f3*L^2)+(f4 +f5*L+f6*L^2)*y+(f7+f8*L+f9*L^2)*y^2 + (f10+f11*L+f12*L^2)*y^3); Curvename = {'Amagat', 'Boyle' , 'Charles' , 'Zeno'}; allcurves_plot_T_p = figure; allcurves_plot_T_rho = figure; % hold on for jj = 1 : size(Curvename,2) [d1,d2,d3,d4,d5,f1,f2,f3,f4,f5,f6,f7,f8,f9,f10,f11,f12] = getparamter_fit(Curvename{jj},'T_p',multipole_type,'a'); a_T_p = ft_parameter(L,y, d1,d2,d3,d4,d5,f1,f2,f3,f4,f5,f6,f7,f8,f9,f10,f11,f12); [d1,d2,d3,d4,d5,f1,f2,f3,f4,f5,f6,f7,f8,f9,f10,f11,f12] = getparamter_fit(Curvename{jj},'T_rho',multipole_type,'a'); a_T_rho = ft_parameter(L,y, d1,d2,d3,d4,d5,f1,f2,f3,f4,f5,f6,f7,f8,f9,f10,f11,f12); [d1,d2,d3,d4,d5,f1,f2,f3,f4,f5,f6,f7,f8,f9,f10,f11,f12] = getparamter_fit(Curvename{jj},'T_p',multipole_type,'b'); b_T_p = ft_parameter(L,y, d1,d2,d3,d4,d5,f1,f2,f3,f4,f5,f6,f7,f8,f9,f10,f11,f12); [d1,d2,d3,d4,d5,f1,f2,f3,f4,f5,f6,f7,f8,f9,f10,f11,f12] = getparamter_fit(Curvename{jj},'T_rho',multipole_type,'b'); b_T_rho = ft_parameter(L,y, d1,d2,d3,d4,d5,f1,f2,f3,f4,f5,f6,f7,f8,f9,f10,f11,f12); [d1,d2,d3,d4,d5,f1,f2,f3,f4,f5,f6,f7,f8,f9,f10,f11,f12] = getparamter_fit(Curvename{jj},'T_p',multipole_type,'c'); c_T_p = ft_parameter(L,y, d1,d2,d3,d4,d5,f1,f2,f3,f4,f5,f6,f7,f8,f9,f10,f11,f12); [d1,d2,d3,d4,d5,f1,f2,f3,f4,f5,f6,f7,f8,f9,f10,f11,f12] = getparamter_fit(Curvename{jj},'T_rho',multipole_type,'c'); c_T_rho = ft_parameter(L,y, d1,d2,d3,d4,d5,f1,f2,f3,f4,f5,f6,f7,f8,f9,f10,f11,f12); [d1,d2,d3,d4,d5,f1,f2,f3,f4,f5,f6,f7,f8,f9,f10,f11,f12] = getparamter_fit(Curvename{jj},'T_p',multipole_type,'d'); d_T_p = ft_parameter(L,y, d1,d2,d3,d4,d5,f1,f2,f3,f4,f5,f6,f7,f8,f9,f10,f11,f12); [d1,d2,d3,d4,d5,f1,f2,f3,f4,f5,f6,f7,f8,f9,f10,f11,f12] = getparamter_fit(Curvename{jj},'T_rho',multipole_type,'d'); d_T_rho = ft_parameter(L,y, d1,d2,d3,d4,d5,f1,f2,f3,f4,f5,f6,f7,f8,f9,f10,f11,f12); [d1,d2,d3,d4,d5,f1,f2,f3,f4,f5,f6,f7,f8,f9,f10,f11,f12] = getparamter_fit(Curvename{jj},'T_p',multipole_type,'e'); e_T_p = ft_parameter(L,y, d1,d2,d3,d4,d5,f1,f2,f3,f4,f5,f6,f7,f8,f9,f10,f11,f12); [d1,d2,d3,d4,d5,f1,f2,f3,f4,f5,f6,f7,f8,f9,f10,f11,f12] = getparamter_fit(Curvename{jj},'T_rho',multipole_type,'e'); e_T_rho = ft_parameter(L,y, d1,d2,d3,d4,d5,f1,f2,f3,f4,f5,f6,f7,f8,f9,f10,f11,f12); if strcmpi(Curvename{jj},'Amagat') T_char_red = T_B_max/T_c; elseif strcmpi(Curvename{jj},'Boyle') T_char_red = T_B_zero/T_c; elseif strcmpi(Curvename{jj},'Charles') T_char_red = T_B_asymptot/T_c; elseif strcmpi(Curvename{jj},'Zeno') T_char_red = T_B_zero/T_c; end ft_T_p_red = fittype( @(a,b,c,d,e,x) (a.*(x-T_char_red) + b.*(x-T_char_red).^2 + c*(x-T_char_red).^3 + d.*tanh( 0.1*(x-T_char_red) ) + e.*( exp(0.1*(x-T_char_red) )-1 )) ); ft_T_rho_red = fittype( @(a,b,c,d,e,x) (a.*(x-T_char_red) + b.*(x-T_char_red).^2 + c*(x-T_char_red).^3 + d.*tanh( 0.1*(x-T_char_red) ) + e.*( exp(0.1*(x-T_char_red) )-1 )) ); % plot characteristic curve if strcmpi(Curvename{jj},'Amagat') cfit_T_p= cfit(ft_T_p_red,a_T_p,b_T_p,c_T_p,d_T_p,e_T_p); cfit_T_rho= cfit(ft_T_rho_red,a_T_rho,b_T_rho,c_T_rho,d_T_rho,e_T_rho); T_red = linspace(T_min,T_char_red,1000)'; p_red = feval(cfit_T_p,T_red); rho_red = feval(cfit_T_rho,T_red); T_Amagat = T_red * T_c; p_Amagat= p_red * p_c; rho_Amagat = rho_red * rho_c; figure; plot(T_Amagat,p_Amagat) title( sprintf('Amagat L = %0.5f %s = %0.5f T - p', L , multipole_type_abb, y ) ); xlabel( 'T*', 'Interpreter', 'none' ); ylabel( 'p*', 'Interpreter', 'none' ); xlim( [0 , 1.2 * T_Amagat(end) ]); ylim( [0 1.2 * max(p_Amagat)]) ; figure; plot(T_Amagat,rho_Amagat) title( sprintf('Amagat L = %0.5f %s = %0.5f T - rho', L , multipole_type_abb, y ) ); xlabel( 'T*', 'Interpreter', 'none' ); ylabel( 'rho*', 'Interpreter', 'none' ); xlim( [0 , 1.2 * T_Amagat(end) ]); ylim( [0 1.2 * max(rho_Amagat)]) ; figure(allcurves_plot_T_p); plot(T_Amagat,p_Amagat); xlim( [0 , 1.2 * T_Amagat(end) ]); ylim( [0 1.2 * max(p_Amagat)]) ; figure(allcurves_plot_T_rho); plot(T_Amagat,rho_Amagat); xlim( [0 , 1.2 * T_Amagat(end) ]); ylim( [0 1.2 * max(rho_Amagat)]) ; elseif strcmpi(Curvename{jj},'Boyle') cfit_T_p= cfit(ft_T_p_red,a_T_p,b_T_p,c_T_p,d_T_p,e_T_p); cfit_T_rho= cfit(ft_T_rho_red,a_T_rho,b_T_rho,c_T_rho,d_T_rho,e_T_rho); T_red = linspace(T_min,T_char_red,1000)'; p_red = feval(cfit_T_p,T_red); rho_red = feval(cfit_T_rho,T_red); T_Boyle = T_red * T_c; p_Boyle = p_red * p_c; rho_Boyle = rho_red * rho_c; figure; plot(T_Boyle,p_Boyle) title( sprintf('Boyle L = %0.5f %s = %0.5f T - p', L , multipole_type_abb, y ) ); xlabel( 'T*', 'Interpreter', 'none' ); ylabel( 'p*', 'Interpreter', 'none' ); xlim( [0 , 1.2 * T_Boyle(end) ]); ylim( [0 1.2 * max(p_Boyle)]) ; figure; plot(T_Boyle,rho_Boyle) title( sprintf('Boyle L = %0.5f %s = %0.5f T - rho', L , multipole_type_abb, y ) ); xlabel( 'T*', 'Interpreter', 'none' ); ylabel( 'rho*', 'Interpreter', 'none' ); xlim( [0 , 1.2 * T_Boyle(end) ]); ylim( [0 1.2 * max(rho_Boyle)]) ; figure(allcurves_plot_T_p); hold on plot(T_Boyle,p_Boyle); figure(allcurves_plot_T_rho); hold on plot(T_Boyle,rho_Boyle); elseif strcmpi(Curvename{jj},'Charles') cfit_T_p= cfit(ft_T_p_red,a_T_p,b_T_p,c_T_p,d_T_p,e_T_p); cfit_T_rho= cfit(ft_T_rho_red,a_T_rho,b_T_rho,c_T_rho,d_T_rho,e_T_rho); T_red = linspace(T_min,T_char_red,1000)'; p_red = feval(cfit_T_p,T_red); rho_red = feval(cfit_T_rho,T_red); T_Charles = T_red * T_c; p_Charles = p_red * p_c; rho_Charles = rho_red * rho_c; figure; plot(T_Charles,p_Charles) title( sprintf('Charles L = %0.5f %s = %0.5f T - p', L , multipole_type_abb, y ) ); xlabel( 'T*', 'Interpreter', 'none' ); ylabel( 'p*', 'Interpreter', 'none' ); xlim( [0 , 1.2 * T_Charles(end) ]); ylim( [0 1.2 * max(p_Charles)]) ; figure; plot(T_Charles,rho_Charles) title( sprintf('Charles L = %0.5f %s = %0.5f T - rho', L , multipole_type_abb, y ) ); xlabel( 'T*', 'Interpreter', 'none' ); ylabel( 'rho*', 'Interpreter', 'none' ); xlim( [0 , 1.2 * T_Charles(end) ]); ylim( [0 1.2 * max(rho_Charles)]) ; figure(allcurves_plot_T_p); hold on plot(T_Charles,p_Charles); figure(allcurves_plot_T_rho); hold on plot(T_Charles,rho_Charles); elseif strcmpi(Curvename{jj},'Zeno') cfit_T_p= cfit(ft_T_p_red,a_T_p,b_T_p,c_T_p,d_T_p,e_T_p); T_red = linspace(T_min,T_char_red,1000)'; p_red = feval(cfit_T_p,T_red); T_Zeno = T_red * T_c; p_Zeno = p_red * p_c; switch true case strcmpi(ZenoCurveCalcMode,'directfit') cfit_T_rho= cfit(ft_T_rho_red,a_T_rho,b_T_rho,c_T_rho,d_T_rho,e_T_rho); rho_red = feval(cfit_T_rho,T_red); rho_Zeno = rho_red * rho_c; case strcmpi(ZenoCurveCalcMode,'Zroute') rho_Zeno = p_Zeno ./ T_Zeno; end figure; plot(T_Zeno,p_Zeno) title( sprintf('Zeno L = %0.5f %s = %0.5f T - p', L , multipole_type_abb, y ) ); xlabel( 'T*', 'Interpreter', 'none' ); ylabel( 'p*', 'Interpreter', 'none' ); xlim( [0 , 1.2 * T_Zeno(end) ]); ylim( [0 1.2 * max(p_Zeno)]) ; figure; plot(T_Zeno,rho_Zeno) title( sprintf('Zeno L = %0.5f %s = %0.5f T - rho', L , multipole_type_abb, y ) ); xlabel( 'T*', 'Interpreter', 'none' ); ylabel( 'rho*', 'Interpreter', 'none' ); xlim( [0 , 1.2 * T_Zeno(end) ]); ylim( [0 1.2 * max(rho_Zeno)]) ; figure(allcurves_plot_T_p); hold on plot(T_Zeno,p_Zeno); plot(T_VLE,p_VLE,'black'); scatter(T_c,p_c,'pentagram','black') title( sprintf('All Curves L = %0.5f %s = %0.5f T - p', L , multipole_type_abb, y ) ); xlabel( 'T*', 'Interpreter', 'none' ); ylabel( 'p*', 'Interpreter', 'none' ); legend('Amagat', 'Boyle' , 'Charles' , 'Zeno','binodal','critical point'); set(gca, 'XScale', 'log') set(gca, 'YScale', 'log') ylim( [0.1 inf]); figure(allcurves_plot_T_rho); hold on plot(T_Zeno,rho_Zeno); title( sprintf('All Curves L = %0.5f %s = %0.5f T - rho', L , multipole_type_abb, y ) ); xlabel( 'T*', 'Interpreter', 'none' ); ylabel( 'rho*', 'Interpreter', 'none' ); legend('Amagat', 'Boyle' , 'Charles' , 'Zeno'); end end %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% %% save data %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% % settings for directoy and filename % create directory name for current date FOLDERNAME = sprintf('Result_%s', date); % check if directory with current date already exists if exist(strcat(pwd,filesep,FOLDERNAME), 'dir') ~= 7 % create directory if it doesn't exist already mkdir(sprintf('Result_%s', date)); end % save results % open file FILENAME = strcat(FOLDERNAME,filesep,'Correlation_results.txt'); FileID = fopen(FILENAME,'w'); Header = strcat('Zeno Temperature \t Zeno Density \t Zeno Pressure \t Boyle Temperature \t Boyle Density \t Boyle Pressure \t Charles Temperature \t Charles Density \t Charles Pressure \t Amagat Temperature \t Amagat Density \t Amagat Pressure \n'); OutputData = [T_Zeno , rho_Zeno, p_Zeno , T_Boyle , rho_Boyle, p_Boyle , T_Charles , rho_Charles, p_Charles , T_Amagat , rho_Amagat, p_Amagat ,]; fprintf(FileID,Header); fprintf(FileID,'%.10e \t %.10e \t %.10e \t %.10e \t %.10e \t %.10e \t %.10e \t %.10e \t %.10e \t %.10e \t %.10e \t %.10e \t \n', OutputData'); fclose(FileID); fclose('all'); % plot end message fprintf('\n\n-------------------\n ----- End -----\n-------------------\n\n'); function [d1,d2,d3,d4,d5,f1,f2,f3,f4,f5,f6,f7,f8,f9,f10,f11,f12] = getparamter_fit(Curvename, variable_type, multipole_type,parameter_type) switch true case strcmpi(parameter_type,'a') ii = 1; case strcmpi(parameter_type,'b') ii = 2; case strcmpi(parameter_type,'c') ii = 3; case strcmpi(parameter_type,'d') ii = 4; case strcmpi(parameter_type,'e') ii = 5; end switch true case strcmpi(multipole_type,'dipole') switch Curvename case 'Amagat' switch variable_type case 'T_p' coeff = [1329.98419741031 32308.2808574183 -117849.318451577 150203.456156807 -63597.6451352166 235.127397063665 -0.228820772005575 -0.352832177827373 0.244972154441323 -246.562224983431 18.0193277325742 -8.79420951414948 -206.057235331790 126.350615460370 4.85091154695052 16.6228335914946 -10.6577953960399 54.5415007070051 1376.06018365860 -5073.64989801330 6501.37704040476 -2757.67274754714 9.61845146584927 -0.00975703336539889 -0.0139886590377895 0.00948028998353884 -6.52842276075281 -3.87071833357155 -0.354940775155631 -8.85996318441834 5.68099222911112 0.206727552746074 0.684439039829809 -0.439903135154543 0.858512551074999 24.5339961458836 -92.7351649388761 120.251840122813 -51.2119301217174 0.153297250630145 -0.000173550661865107 -0.000199775532868344 0.000120517022030152 0.0382823643316250 -0.241554307671077 -0.00552188741415586 -0.158482584075138 0.109263411795308 0.00367707720632236 0.0109828161544739 -0.00692102363799010 -2725.34931458516 -36364.4257255545 103974.149091622 -114202.824915412 46131.9219298636 -803.305648619531 0.454984023520728 0.359248301717452 -0.475904456648413 3515.47573679933 -3246.49793774624 106.840454445406 -92.4068022651314 167.119071404368 -13.1309154460959 -7.85512555835089 7.03189368706913 -10606.0417155456 -288908.486569746 1085464.75531115 -1403931.43964392 597027.432402961 -1466.59883804628 1.80181483148736 3.25665605313414 -1.98674109970358 -1461.71291038481 3432.09956666065 -38.6870892371597 2224.51220457073 -1478.23971413942 -33.9606345745842 -162.824010893147 101.466321008964]; case 'T_rho' coeff = [1.39903962261463 -388.701345154579 1665.95096903518 -2382.71917902116 1089.50553327037 -3.10018832603529 0.00209332216872653 0.00372299175063342 -0.00985672907570749 9.17927689013215 -5.70670692824638 0.623859062778083 -0.118702074970699 -1.39263311741571 -0.0704417126560085 -0.0739964720511649 0.264618789529803 0.0636506375451208 -16.1276104792006 69.2442481016796 -99.0817596778418 45.3092406609971 -0.128762281229260 8.78263874364455e-05 0.000144302545107711 -0.000394658264163217 0.385271366863217 -0.249980842666241 0.0259941632668881 -0.00759656828922650 -0.0530142050077624 -0.00295084040441909 -0.00275391010876120 0.0105056657235748 0.000946754713362134 -0.266613260685687 1.15000595298129 -1.64753295164310 0.753511380637147 -0.00219083332138083 1.52052193162773e-06 1.88324718728584e-06 -5.89402310375160e-06 0.00671675633026693 -0.00478035325422319 0.000445255590397456 -0.000273653218700947 -0.000658971559318679 -5.09755234027891e-05 -2.92881548266428e-05 0.000152500668805032 -5.54480167196633 759.794789550667 -3160.38451233476 4463.46529416303 -2028.92174988748 3.12617120445525 -0.00206596117703190 -0.0148512612877015 0.0243170249010508 -6.76083130988190 0.0559961797681665 -0.436650851897833 -3.09586386336348 5.53375148312780 0.0619430994947253 0.436263123614282 -0.731130969603022 -9.01063771473054 3097.66768620228 -13384.5236943502 19210.5502834337 -8799.29803051189 28.3716238052504 -0.0191446878870339 -0.0211526877368121 0.0736359993213912 -86.8404232944238 58.2886815386689 -5.94613097408583 4.85098383784314 8.03279860001284 0.654037764284657 0.255190675308345 -1.88739611163815]; end case 'Boyle' switch variable_type case 'T_p' coeff = [36881.5083495170 124645.725515694 -439824.622740664 515807.432981089 -185714.057712590 5273.48381642045 -2.05303830098819 12.3320619126395 -17.4776663411663 -9672.54624491441 11477.2864377395 -851.296212209497 3019.55357079646 -4477.24887379132 71.2878756938474 -374.624879774365 542.210760326166 1788.18018068480 6033.25837043220 -27267.1914990107 37815.9724353100 -16177.3215439386 275.009744093526 -0.0823669396455959 0.601498284481953 -0.869804256954740 -588.774184597107 659.315231290734 -44.1149967478802 174.191822987188 -243.910864140771 3.17175383201457 -19.1712756197969 27.7016829109106 52.8358822206363 178.847320613097 -1200.96402861094 1973.32324292325 -957.998794681436 9.27213699649767 -0.00111028147464297 0.0174957876242649 -0.0263270172545081 -24.5608598573956 25.1728009493371 -1.43148910469728 6.76457562230029 -8.64878778668282 0.0685448729568230 -0.613464719608537 0.880942622045736 -10007.7632049126 -39978.0280073655 -1063071.92285561 2419537.87117576 -1385510.45637062 2406.21030182318 3.98615905652384 -2.80798904843011 0.382743502443732 -21235.1194743819 17433.0246788541 -338.913536400034 4699.59533191805 -4128.38723830791 -76.0443469501342 -94.5576156367890 131.657807101868 -358883.472367010 -1206458.66040324 5461539.32656845 -7578135.70864569 3242951.37132609 -55141.8920824886 16.5448649318721 -120.512060102947 174.397470397127 117950.684367406 -132198.052416046 8851.76070192808 -34892.9453903470 48899.7591506145 -636.841496108751 3840.71383923897 -5553.79325442513]; case 'T_rho' coeff = [-15910.5486240629 -15644.0148094807 -47372.7349226485 180269.345636886 -133544.278844901 -241.596638208578 -0.109519831979888 -2.33086406738781 4.80760789018413 -1755.46415266563 -684.199463149207 -168.991499357948 384.050175394862 503.126355523511 8.78766986641269 38.4009367259344 -124.023785465692 -421.249029690442 -726.102603949370 -2083.87817023647 7256.90088838670 -5108.81218928260 -5.11463803378180 0.00289704262767077 -0.125224887704947 0.205367936764719 -59.0253208977145 -26.3356854604528 -4.30974991994552 3.95792486677816 25.0207251534886 0.0866970157211820 2.62502914414002 -5.38424497440439 11.1495104941544 -18.2544361020419 -49.9572793178950 116.607208298809 -59.2314359166551 0.261082930433131 0.000659988036201255 -0.00460678589441305 0.00434332567839644 0.196123445620228 -0.574762112666398 0.143992140797820 -0.911289731336698 0.840974277496254 -0.0211007551997931 0.132053613717120 -0.121588742948915 74870.1063089550 10486.5027033841 58000.9745430379 -351394.861670255 313244.901182890 1408.41790819765 1.66811575755741 -1.74843851158345 -7.00981840277282 5688.02472020869 1649.62559523110 823.830786413669 -3040.98163027527 -39.6190838457090 -70.2601917893417 141.034511845758 163.875436293582 84226.5102708511 145971.956218113 415683.817687975 -1451263.56459347 1022187.93387585 1007.16308275543 -0.572824454774634 25.0569877759798 -41.0650519733719 11866.5599106679 5191.73605400933 866.144483917824 -799.458213047683 -4991.38225932184 -17.6201941348519 -525.046091723580 1076.33070635213]; end case 'Charles' switch variable_type case 'T_p' coeff = [8133.32805454030 -50070.4454076941 122036.381749069 -128745.278187273 48424.5193791965 -97.1088975230519 0.427308409290906 -1.59053687042886 1.23458357076951 256.786444219317 -169.062772635010 138.272910965974 -523.760222574499 410.329519892856 -15.6470496993344 58.3927427793654 -45.3834624507395 403.710924420277 -2128.54477903633 5117.00574300763 -5033.84306381510 1791.68695182373 -3.03092965162101 0.0189005457038856 -0.0580655423087681 0.0240501763821216 39.4091566408928 -25.3931869663276 6.27024387532801 -24.9560177315780 16.2219410978019 -0.704825752709250 2.38700779259386 -1.31571744721577 11.8689152639426 -38.4389238101151 86.6606914742978 -56.2966230771911 11.3240354194802 0.0286180859142256 0.000418975101711728 -0.000339984270371182 -0.00166442783584328 2.78870988798128 -1.74385113771150 0.153556761475912 -0.656607456689086 0.202394491305827 -0.0166243769326910 0.0362857673392438 0.0215137041038341 297.119834093397 69975.3827596247 -184207.201711924 267358.510118002 -120873.893026492 359.240305200590 -0.488071622814538 4.27638536744065 -7.66737850385393 5538.58086168279 -3567.72762481531 -125.778285682435 203.951619484146 -844.779237399602 15.2022813943607 -104.239721347799 192.444438595192 -81737.8972242278 430945.693013840 -1036491.82410740 1020108.76276932 -363242.224120885 613.921718792406 -3.78500241316597 11.6244751182251 -4.66575900496221 -8122.91399229768 5272.13303634402 -1257.71179969207 5035.34385741241 -3258.67357755655 141.296372023962 -479.653509470574 261.140077033619]; case 'T_rho' coeff = [1747.65612105566 -10929.7682249512 35887.0216740486 -46985.5296962229 20967.5393618426 -124.691487691988 0.0535456268948564 -0.0150728640436499 -0.0198596581352649 359.064341314229 -231.709211787531 41.4607816000813 -98.9820378674259 64.0584235687060 -2.54609824863350 3.59835735725683 -1.68992718838131 67.6821418966437 -423.360209562109 1363.20606663836 -1770.64593819193 786.602744509376 -5.08852709137078 0.00229863152054979 -0.00253110297223620 0.000927651793240926 15.8631902409966 -10.7897771510403 1.64234126856969 -4.35093049180353 2.96061747605036 -0.105447385937328 0.201414354258785 -0.120064090287394 0.764955743373514 -4.82230549530304 13.4227327415448 -16.3057993669839 6.94825870559209 -0.0796104875534476 4.44587379806905e-05 -0.000181340714535831 0.000144921621054959 0.332524632954032 -0.264053614818895 0.0219472978762837 -0.0899844849536994 0.0713504342683523 -0.00176202793159414 0.00713951171651016 -0.00566539054103263 -3879.03340507609 24173.4971791530 -84955.9732100974 114176.271111870 -51684.4928074605 224.554600265229 -0.0735721006742356 -0.366461185762466 0.390099004309397 -390.411081093406 137.073681733114 -84.9262152777003 113.055167866928 -43.5683639340069 4.27830018365891 4.78369460745502 -7.43394620093490 -13604.2572765593 85143.7053373673 -273970.483419625 355743.871764091 -158018.065015431 1022.38348344620 -0.461918163395551 0.517357103571438 -0.191311166190801 -3201.26027525319 2180.76934335439 -329.711100464945 876.974243070173 -597.116477242000 21.1847320129032 -40.7791617358056 24.3341307792041]; end case 'Zeno' switch variable_type case 'T_p' coeff = [236055.522222499 -1094033.73738827 2536779.13159967 -2146696.06639915 750111.077437651 10248.4409029698 0.343386227470793 -32.6699457087901 1.22810660326095 -27222.5019168007 37546.2075376549 1321.94348765329 -7770.86131057596 -1071.39247948238 -54.1660077787840 890.426843294783 95.7942255191906 7608.48340707511 -36860.6141747579 84726.5391399742 -68988.1196100000 23101.1115577064 357.545781237021 0.00140093759289151 -1.07760736819008 0.0227259573046623 -873.918385290512 1200.96762225002 43.2169522264672 -257.653491907764 -39.6127614389116 -1.62010900709960 29.4198750560737 3.74935741119829 -36.7493037564674 21.6118453582279 -122.022705131716 365.805051561159 -224.948672826271 0.972702937961032 -0.00100767454027875 0.00299888827441912 -0.00185241043363435 3.65122894222580 -5.93858187716949 -0.154730886361486 0.707962163816309 -0.443067259701657 0.0214879248605896 -0.0824582300387139 0.0543966599320778 -835897.816223208 3555472.06506715 -8395729.02220814 7652423.08010834 -2877204.61867674 -30878.7828824764 -3.12163862243744 110.849887796161 -7.95155508574250 98124.0310565634 -135710.811350200 -4542.75289362896 25958.9254078814 2853.58177185184 215.539156628578 -3005.80526986672 -205.549189070460 -1524822.82678747 7385064.39143878 -16972057.9831172 13813798.2851636 -4623379.94829894 -71597.8564224829 -0.317408186153696 215.931635005544 -4.41405775469531 173978.806095354 -239623.139892250 -8680.18673773634 51783.3930693914 7825.89675915004 326.365699727604 -5901.37531492473 -749.406417366500]; case 'T_rho' coeff = [27113.5320802045 49354.0651392278 -127919.608735575 3817.53529245164 99616.3415099922 880.394986612868 0.122020547665671 -1.79790989498139 -0.210645796395498 18.3392379424616 1912.55525694412 171.489264434007 -766.991252038417 70.0683481444448 -9.08895650994712 54.1553497739809 15.5299474075045 879.746210675904 935.139703512845 -2321.82325372123 -1199.36703903399 3390.27121095491 35.0873077678495 0.00160077118931796 -0.0659901523159004 -0.00452274706922270 -19.5117214566705 72.9384284074066 4.32263191407856 -20.6266410677458 -3.14378466288009 -0.203592593851760 1.75761974536448 0.676513330372970 -3.69428274343635 -69.8501363004044 190.783635113842 -125.391263305182 0.926209530297757 0.496997428766524 -0.000244500444103167 -0.000461967699412861 0.000255819857370477 -2.01127071475972 0.843337692830109 -0.142053687033654 0.528964702992690 -0.537144170719148 0.0100324806586511 -0.00857132525160481 0.0147305915010203 -94954.7250039591 -307400.994273007 817256.493177659 -281018.100190895 -316536.942104039 -1770.76552961347 -0.897980774817430 4.73176881796120 1.19870548162466 -4010.73503367859 -4583.79780153634 -849.163421202186 3523.39333309625 -1324.37065971458 50.0612413950402 -188.259065648401 -20.0577303117695 -176198.037654120 -186121.975570338 461883.231563103 242900.419552640 -679651.298937257 -7035.19941901942 -0.321779898015852 13.2395842027244 0.918479390818786 3836.21783272339 -14552.2531779848 -865.445182964500 4143.95571731976 627.112251416410 40.8094880030324 -353.041680018458 -135.587029441412]; end end case strcmpi(multipole_type,'quadrupole') switch Curvename case 'Amagat' switch variable_type case 'T_p' coeff = [2425.80530066118 -121.644775826383 18777.0271858615 -78323.7595643071 66847.3161016269 1636.06126331820 -60.4467289423628 307.667621518074 -345.607214384720 -8016.09127009574 7437.28848050137 -1835.23990832884 9021.10085408267 -8673.19911868443 652.669697523400 -3051.07664878382 3138.65906496173 99.8603678298330 26.6640386100690 614.429453282950 -2964.70437820824 2615.26214322305 66.3281720496641 -2.46982843664025 12.7912184813872 -14.5271840548724 -328.930693633825 308.236873580157 -74.8281534981937 372.210731030108 -361.545425493865 26.7268694179757 -126.481123322157 131.479863645919 1.60792840347482 1.95866822371637 2.27234132609231 -35.4669887342059 35.7547298863627 1.01359029233920 -0.0387181968973076 0.210811517601537 -0.246810783627943 -5.21791556262758 5.02511705042739 -1.16460551886931 6.00487772901063 -5.99973483441556 0.421746998997800 -2.06784925452648 2.21218118776677 -4713.05451563977 18097.5394900790 -121130.462249565 282509.849610408 -194638.037286869 -5769.83196243087 176.058069842368 -734.505417818422 693.573262470535 24397.8590529127 -20776.8376326367 5841.72451684228 -24637.4149395864 21250.4676988351 -1884.43137087282 7664.90325396814 -6862.73945166000 -19564.0351418267 -19160.4761088865 -55447.3646549172 482171.667524573 -463816.386715224 -10052.3203327757 414.747183916713 -2293.38640676451 2724.90657494718 53710.5675119248 -51892.3646349568 12009.4694215159 -63696.1619089074 63946.0032478400 -4496.08632693035 22308.9560753104 -24095.7957388742]; case 'T_rho' coeff = [-3.04456781747102 -377.711893997748 2032.93100698083 -3502.18338802784 1921.00764646600 -7.16240243902321 0.201110276909972 -0.696120411404439 0.395749212530836 31.6033344548700 -28.5084827899547 6.25104216968148 -37.5357698492957 35.4399564050156 -2.17254653135915 9.39808193997259 -7.11377977972687 -0.118529499634045 -15.7161916555790 84.6001226391302 -145.748018887646 79.9444329401151 -0.289617824886994 0.00819896461604547 -0.0287757359420186 0.0162629635364951 1.29011754718146 -1.16131371836104 0.251134643055565 -1.53968327175349 1.45302754279995 -0.0881894574076306 0.386819848605708 -0.291821650597986 -0.00197751576553453 -0.262092931685392 1.41248293328835 -2.43460826037140 1.33564894282082 -0.00473017070455528 0.000136614992779216 -0.000495302124604031 0.000281816484307581 0.0213860128786750 -0.0191088918209582 0.00404477037771425 -0.0255745051802469 0.0240280864901628 -0.00145166896530703 0.00652154602707807 -0.00489776395756218 3.99815038157160 725.545059488150 -3829.98105459536 6536.50768334050 -3567.04975439366 -3.43446325875458 0.110668937611972 -0.873095525304065 1.09729629236338 13.2023942105910 -9.70924469427433 3.99538862354219 -2.02357472648982 -2.99327840211870 -0.913714688335246 4.84243952313072 -5.93155646243902 25.5319721815050 3020.70780935140 -16347.8568842396 28236.1351496471 -15509.6855485386 79.0341683871585 -2.23187013748885 8.28022590940326 -5.43851858653881 -344.972511102553 308.487563626928 -70.3311537692319 392.615403898489 -364.562430979809 23.7947428189268 -103.476293091548 81.0838690997626]; end case 'Boyle' switch variable_type case 'T_p' coeff = [49809.8336712294 -152429.616086570 844808.506827000 -1546901.98517627 896768.820060559 6482.13181891460 113.885491431636 -345.489462537302 191.797371081857 -24423.7124028711 30176.0279969750 1584.25089635163 4001.97878725396 -10646.6751057096 -785.844844683602 1361.09398776639 561.661650112012 2247.52619360926 -7424.65614248792 38952.1850252684 -71609.7110163970 42146.3865647611 465.128439937758 4.64929129594111 -15.5005967345871 8.72069002288312 -1737.13996986429 1796.73705589885 -29.4279356832534 430.846365984316 -665.349028606899 -18.2494231514076 18.4302931296474 66.1803242041300 55.0679500223503 -217.352914932590 1003.89232860740 -1866.81920041298 1144.88613618502 22.2653688372553 0.113788152011820 -0.503280292557432 0.337708135732860 -81.2750191189747 68.7647173561512 -6.53009594055517 22.6687092316931 -24.1237733889403 0.400538668045747 -1.09710782513419 3.14549397588436 -47329.7644795870 33082.1176420306 -631854.583097816 1103787.85602377 -514444.005562616 29404.8873030537 -230.267351261268 445.024854113323 -255.138178878779 -108664.580000399 62706.3831592857 -22704.5159582179 50458.5351579119 -30602.6697576983 4466.66216788047 -11049.2306735511 8656.02455264608 -450846.383888074 1491423.32464333 -7817115.20413413 14366684.4931795 -8454039.46568307 -94257.8670950338 -908.031495323863 3007.32717977155 -1660.80527213566 353052.099909442 -364607.060606319 6889.05810089576 -90600.9476245677 137177.723608684 3384.66419618613 -2529.52761157743 -14300.0396450342]; case 'T_rho' coeff = [ -17201.0897984638 14097.6392808440 -74506.7228819603 95483.4880189468 -36229.1395248797 -1968.77280007627 -2.82376012821205 53.6495583983104 -99.1286623183662 -1384.94526821152 1867.22758966672 -114.839941359540 1230.62872201581 -2996.75463517325 13.9367906974320 -489.180318946590 993.510458240453 -459.055499701198 -409.721742153762 293.668338506267 -777.814386813549 821.590629612929 -133.129168935848 2.48404497811359 -8.79756276366489 6.37030917611284 202.088569992281 -153.544151568263 67.0693521916493 -245.149932121619 159.729432836451 -23.6076284056019 82.4650201227850 -57.1953723403530 11.7451390151251 -85.6194508046092 271.985486124800 -389.245631557588 199.788051990332 -6.74365281039598 0.257571957126563 -1.07457933386255 0.987059825327545 25.8623414850553 -22.6637860348541 7.13271595387803 -29.3700191041542 26.7858346267186 -2.41290310973903 10.0757196533486 -9.25842983335415 80193.0826578385 -223644.411011985 805941.618875348 -1113011.57764110 527695.631333382 -6823.56076961702 522.608767811183 -2278.87305106995 2247.41195253798 53444.8950451029 -48545.8356402265 14456.7080266169 -60649.5701079401 61216.0531249668 -4832.21086247766 21191.8002304169 -21175.6186993748 91809.1803338133 82690.3892014780 -60955.8395985592 158283.002731302 -165452.425996899 26507.5539753407 -494.299211539252 1741.91001049480 -1255.64635293197 -39572.5928129462 29850.5500316283 -13305.2077291575 48324.1146718159 -31229.0577140651 4691.99258766310 -16294.6740158920 11235.0798141633]; end case 'Charles' switch variable_type case 'T_p' coeff = [8636.89485025849 -80092.3106186106 281773.223505995 -401736.586474785 195917.744022896 -2058.03231870866 75.6379980714956 -305.958240273490 275.957322780847 6273.98865293032 -4658.03314843344 2854.70683548495 -11121.5447343715 9815.96890761531 -803.772033297526 3208.18882938643 -2871.30426744315 428.534071649683 -3546.18968886517 12790.7446217105 -18362.0400818722 9119.90464037240 -95.1327170954141 3.64892278422128 -12.1443336414847 8.04725912663776 258.634798747823 -141.627400039114 140.049833901208 -472.532207376468 356.140590985323 -38.5852098007792 130.808545805207 -90.5974308904009 12.5794072725850 -75.6019944520370 296.891270629327 -435.715480172794 228.162094289428 -2.27956474451754 0.0940994227370998 -0.139769128719486 -0.136540261656022 3.99074572851566 1.66102977038087 3.87106529007467 -8.31374968375085 1.83661747263966 -0.989668937294097 1.81441573029163 0.777075204233919 271.257700107375 84711.9065387056 -236182.353952205 313057.843518945 -119785.726102144 1481.38232539174 -16.6633218883461 600.327898005748 -1136.32353217121 -10923.1156641325 18408.9997968834 -293.453475256713 16000.8936420481 -26599.2613033680 228.939329214267 -5639.78661989951 10462.1113380405 -86749.0243899434 716588.209997137 -2582874.78363377 3706164.27845229 -1840312.16856579 19091.7113936785 -739.967035489629 2460.15568745801 -1623.95732664608 -51784.6873416084 28137.2576358093 -28254.4888428978 95214.9624434422 -71557.5542868073 7810.27285925781 -26447.3086556187 18254.4178651723]; case 'T_rho' coeff = [1766.91862801998 -9550.51244455567 28751.3020320556 -36268.2763017860 16240.9055796672 -912.464332623074 19.2565744050972 -72.0210581221924 67.9605505809651 3541.77539741408 -3054.29179300481 806.169385449637 -3038.62554138209 2737.15148424933 -215.099459503473 810.735011312134 -748.825551426074 68.6250083813537 -382.892724731517 1156.42581259345 -1473.73364709384 668.091848326780 -35.0501838645138 0.719202455691484 -2.68923602755376 2.48529787539269 135.528991990373 -116.177058861048 30.8948902059604 -116.792264405874 104.098553947348 -8.16065175681693 30.8078223409444 -27.9969191694205 0.790478185880118 -5.36489971397800 16.5125418853291 -22.2518207512192 10.7274711624034 -0.377541412321962 0.00582959183615707 -0.0214909040867305 0.0154534687586077 1.41673252423166 -1.15546614292568 0.322101719839265 -1.24264999832136 1.01597732453699 -0.0773948424380376 0.294288514599220 -0.229349394630736 -3880.62911355349 18424.2644044874 -54725.1636200240 66036.5110370158 -27929.5343482058 2091.53546559551 -48.0115871757561 179.490534668318 -180.039583268628 -8223.85365243231 7232.30579935779 -1857.16995902552 6927.00822502596 -6464.05000346208 511.157056810318 -1914.90402471537 1861.94170155376 -13795.4473957428 77103.5805938871 -232857.314089278 296727.940898147 -134514.196659914 7033.09238277092 -144.563772291623 540.768099442644 -499.601362707916 -27193.9049398785 23310.5912729394 -6204.82668596840 23460.3452011522 -20908.1915864410 1639.93956510813 -6192.90538264604 5626.63590598869]; end case 'Zeno' switch variable_type case 'T_p' coeff = [265248.494105078 -2451865.49348461 9775656.24080563 -15235726.2658503 8030428.65364750 18592.7205060096 105.929680895128 -107.876667378594 -114.146981710581 -87413.9079469864 96944.2432649495 6800.75382257405 -5834.64296815358 -6139.52205087983 -1105.97353807004 384.273225355064 2223.77720643313 8614.24458884783 -82219.4227341185 324941.297334145 -503302.257802608 263957.850248059 568.109279353535 0.748228915231175 -30.0602857534518 21.3976895730373 -1638.78101833401 1731.87349045884 87.7183181373255 -804.479153835009 424.896357952539 3.43088761655151 215.040776509791 -121.486685922675 -35.1622430815646 82.3550158435520 -595.934942093487 1219.55804698443 -766.312555305965 -5.43805531050181 -0.286093744432366 -2.47767949083307 2.36397771606769 124.478947308767 -146.232131730974 -14.1142374153357 -56.1546697725756 58.3894116292646 4.06254676235204 18.7609022805447 -18.2033835897277 -926324.667767693 8046704.39729613 -32661699.8501008 51538933.8014951 -27432407.1468026 -72468.5557562363 -902.337273322754 -5002.72530898859 5497.89109297411 548241.067749164 -625278.528550537 -50266.7870455085 -104534.121168938 148561.405825596 11690.3726632800 39788.6229331706 -47227.0536016438 -1726329.13529064 16472555.2981686 -65097270.8326819 100821992.040777 -52873792.2963573 -113457.989328737 -157.069811763688 6082.20554387619 -4357.62245256542 325892.012927898 -344157.039975610 -17741.3521052616 162889.671173586 -87183.0539488060 -630.485524483705 -43634.9916455649 24996.6809406131]; case 'T_rho' coeff = [30042.6505889726 -13258.5070183030 40227.9919169684 -49656.3640179979 20123.9511784004 3652.80822121704 -8.47966652168066 59.0892064113155 -65.3242478780206 -2650.79439430573 2878.99197202796 -50.5061031063119 1686.13490978997 -1870.59450698901 99.5230358056572 -604.526599084129 661.369972556951 977.954930561718 -1493.16284710656 5870.83414770384 -9109.97526772589 4658.69468877945 94.1514633700371 0.0269243853349137 -6.00610888577377 5.77315528651007 154.638364267773 -177.008410313122 5.09781049631684 -203.214370466688 201.306148691992 0.849069729022726 58.8686631683225 -57.3722563469963 -3.79673229268186 -99.2670988650330 430.185340023792 -710.414230169079 380.851712676249 -2.78513405837458 0.0289824861174214 -0.764323659622817 0.760738837562760 23.2487851092899 -26.0907050372928 0.607892140035056 -24.7977926253126 25.1568911985167 -0.228771654351495 7.56296880084261 -7.58759309818128 -104572.410142312 -168031.638550641 779337.376374894 -1336432.46712086 736005.238311894 -17725.7750149505 91.0837696411719 -1802.35684777776 1818.96116465528 57794.3761452531 -64606.1456617540 1558.45872918760 -57867.7201145324 59363.2394868351 -834.592503726236 17925.7295370068 -18204.1398155708 -195873.479544410 300671.504431833 -1181826.29376439 1833285.83543969 -937385.834357264 -18801.0761525337 -6.31627171514829 1211.70807865930 -1165.99410117010 -31295.3792155918 35826.6034097207 -1054.80341295040 41015.1526648832 -40666.7378238161 -160.303625016521 -11883.0228732077 11593.2492958230]; end end end d1 = coeff(ii,1); d2 = coeff(ii,2); d3 = coeff(ii,3); d4 = coeff(ii,4); d5 = coeff(ii,5); f1 = coeff(ii,6); f10 = coeff(ii,7); f11 = coeff(ii,8); f12 = coeff(ii,9); f2 = coeff(ii,10); f3 = coeff(ii,11); f4 = coeff(ii,12); f5 = coeff(ii,13); f6 = coeff(ii,14); f7 = coeff(ii,15); f8 = coeff(ii,16); f9 = coeff(ii,17); end function [d1,d2,d3,d4,d5,f1,f2,f3,f4,f5,f6,f7,f8,f9,f10,f11,f12] = getparamter_Tchar(Curvename,multipole_type) switch true case strcmpi(multipole_type,'dipole') switch Curvename case 'Amagat' d1 = 102.163997354119; d2 = -144.914434210380; d3 = 160.209123524943; d4 = -141.136958157908; d5 = 57.6563497279526; f1 = 0.0293480003176770; f10 = 4.19818445121910e-05; f11 = -5.75338446899350e-05; f12 = 0.000967345910625535; f2 = -0.370933166144968; f3 = -0.242886311655145; f4 = 0.120814275718829; f5 = -0.112555987817189; f6 = 0.294000911828188; f7 = -0.00222613064341653; f8 = 0.000627130717233842; f9 = -0.0282487415431700; case 'Boyle' d1 = 13.3872569383521; d2 = -4.94464108312685; d3 = -47.0188198228491; d4 = 78.3059628004635; d5 = -35.7808087466156; f1 = 0.00336399766408786; f10 = 4.05493071751225e-06; f11 = 7.30773866787073e-05; f12 = -5.88093782377342e-06; f2 = -0.179001521177348; f3 = 0.150635227473778; f4 = 0.0426172998130596; f5 = 0.00234213598607373; f6 = -0.0134964609343984; f7 = -0.000871617867062654; f8 = -0.00266452180715875; f9 = 0.00120988267688072; case 'Charles' d1 = 24.8507722653719; d2 = -7.89959779049148; d3 = -90.0182567837004; d4 = 147.137160108825; d5 = -66.6202690503593; f1 = 0.00297199457056479; f10 = 1.33085687346720e-05; f11 = 5.76157480712697e-05; f12 = 5.15966324015401e-06; f2 = -0.204532383207566; f3 = 0.172896224386516; f4 = 0.0679834822953458; f5 = -0.0198875455519013; f6 = -0.00620191447290691; f7 = -0.00146125284864985; f8 = -0.00223348619474780; f9 = 0.00105471085354946; end case strcmpi(multipole_type,'quadrupole') switch Curvename case 'Amagat' d1 = 102.069508269195; d2 = -166.778877953030; d3 = 325.930625512483; d4 = -498.909895548387; d5 = 288.746734262574; f1 = 0.526524651089681; f10 = -0.0197073818271396; f11 = 0.000848529265933951; f12 = 0.0387029819282889; f2 = 0.585554216286895; f3 = -1.64283053186487; f4 = -0.397049561984134; f5 = -0.612587483503136; f6 = 1.96520043249056; f7 = 0.226263099467541; f8 = -0.0734610170044636; f9 = -0.377853246943426; case 'Boyle' d1 = 13.3953514832072; d2 = -1.92207210888493; d3 = -71.4566656584074; d4 = 132.489020101384; d5 = -71.4751667274618; f1 = -0.00297481013735981; f10 = 0.000161669807206180; f11 = -0.00128030552520453; f12 = 0.00158984040757706; f2 = 0.0187335443935197; f3 = 0.0369631009101357; f4 = 0.0996998259591252; f5 = -0.214749753961042; f6 = 0.156052590782344; f7 = -0.00346910729928255; f8 = 0.0161162850420176; f9 = -0.0181089169290180; case 'Charles' d1 = 24.8518380627387; d2 = -2.01809630184826; d3 = -135.019960528799; d4 = 245.031054339966; d5 = -130.524169067792; f1 = -0.00622766695859667; f10 = 0.000262484411124245; f11 = -0.00200231202464805; f12 = 0.00322380253024927; f2 = 0.0314127686246730; f3 = 0.0600699285888456; f4 = 0.160715883962764; f5 = -0.335582078220996; f6 = 0.257384802743093; f7 = -0.00476063951692874; f8 = 0.0197693220197506; f9 = -0.0300100799635209; end end end %% Correlation Dipol according to: Comprehensive study of the vapour-liquid equilibria of the pure two-centre Lennard-Jones plus pointdipole fluid %%% Jürgen Stoll, Jadran Vrabec, Hans Hasse %%%%% Fluid Phase Equilibria Volume 209, Issue 1, 30 June 2003, Pages 29-53 %%%%%%% DOI: 10.1016/S0378-3812(03)00074-8 %%calculate points m = µ*^2_2CLJ function [T_VLE, rhoL_VLE, rhoV_VLE, p_VLE, T_c, rho_c,p_c ] = correlation_Stoll_mu(L,m) T_c = 1.454013+136.3894*m/(88+m)^2+2020.243*m^2/(88+m)^3+0.3269772/(0.1+L^2)+0.04910240/(0.1+L^5)+42.39005*m/((88+m)^2*(0.1+L^2))+... 672.4083*m^2/((88+m)^3*(0.1+L^2))+79.13876*m^2/((88+m)^3*(0.1+L^5)); rho_c = 0.3157828+9.871123*m/(88+m)^2-146.1751*m^2/(88+m)^3-0.1475616*L^2/(0.11+L^2)-0.04152214*L^5/(0.11+L^5)-10.10584*m/(88+m)^2*L^2/(0.11+L^2)+... 41.05884*m^2/(88+m)^3*L^2/(0.11+L^2)+52.99302*m^2/(88+m)^3*L^5/(0.11+L^5); C1 = 0.2951644-0.6339151*m^2/(70+m)^2+3.182745*m^3/(70+m)^3-0.2359527*L^2*exp(L)+0.5466755*L^3+1.449170*m^2/(70+m)^2*L^8/(L+0.4)-... 0.1955388*m^3/(70+m)^3*L^2/(L+0.4)^2-5.849357*m^3/(70+m)^3*L^8/(L+0.4); C21 = 0.06484789+0.7301440*m^2/(70+m)^2-8.780100*m^3/(70+m)^3-0.6551324*L^2*exp(L)+1.810641*L^3+4.808117*m^2/(70+m)^2*L^2*exp(L)+... 1.937455*m^3/(70+m)^3*L^2*exp(L)-13.20822*m^2/(70+m)^2*L^3; C31 = -0.007258204-0.6215183*m^2/(70+m)^2+4.708560*m^3/(70+m)^3+0.4316296*L^2*exp(L)-L^3*1.166922-22.15021*m/(88+m)^2*L^2/(0.4+L)^2-... -78.03181*m^2/(88+m)^3*L^2/(0.4+L)^2-0.5735507*m/(88+m)^2*L^8/(0.4+L); C22 = -0.005486341+1.223952*m^2/(70+m)^2+1.350701*m^3/(70+m)^3+0.2479957*L^2/(0.4+L)^2-0.1684560*L^8/(0.4+L)-... -19.56742*m/(88+m)^2*L^2/(0.4+L)^2-228.9032*m^2/(88+m)^3*L^2/(0.4+L)^2+722.1121*m^2/(88+m)^3*L^8/(0.4+L); C32 = 0.02574709-2.940407*m/(88+m)^2-100.8706*m^2/(88+m)^3-0.09426323*L^2/(0.4+L)^2+0.1108324*L^8/(0.4+L)+25.43158*m/(88+m)^2*L^2/(0.4+L)^2+... 59.87224*m^2/(88+m)^3*L^2/(0.4+L)^2-651.1462*m^2/(88+m)^3*L^8/(0.4+L); c1 = 4.411718+457.5129*m/(88+m)^2+2469.929*m^2/(88+m)^3-2.016356*L^2/(0.4+L)^2+0.4346103*L^8/(0.4+L)+978.7962*m^2/(88+m)^3*L^2/(0.4+L)^2+... 2467.171*m^2/(88+m)^3*L^8/(0.4+L); c2 = -26.86327-3428.826*m/(88+m)^2-87208.08*m^2/(88+m)^3+127.5315*L^2/(0.75+L)^2-139.3077*L^3/(0.75+L)^3+7248.855*m/(88+m)^2*L^2/(0.75+L)^2+... 571549.8*m^2/(88+m)^3*L^2/(0.75+L)^2-743396.2*m^2/(88+m)^3*L^3/(0.75+L)^3; c3 = -526.4689*m/(88+m)^2+6782.756*m^2/(88+m)^3+0.1812550*L^4; T = linspace(0.2 ,T_c, 500); % temperature for calculation for ii=1:1:length(T) rhoL(ii) = rho_c + C1*(T_c-T(ii))^(1/3)+C21*(T_c-T(ii))+C31*(T_c-T(ii))^(3/2); rhoV(ii) = rho_c - C1*(T_c-T(ii))^(1/3)+C22*(T_c-T(ii))+C32*(T_c-T(ii))^(3/2); p(ii) = exp(c1+c2/T(ii)+c3/T(ii)^4); end p_c = p(end); T_VLE = T'; rhoL_VLE = rhoL; rhoV_VLE = rhoV; p_VLE = p; end