VIRTUAL CATALYTIC LAB Matlab Codes Experimental Data FAQ = [0.50,0.65,0.96,0.79,1.00,1.25,0.85,1.15,1.35,1.00,1.20,1.50]; FBO = [0.50,0.35,1.33,1.09,1.25,1.00,0.95,0.95,1.05,1.00,1.50,1.20]; P = [8.10,0.10,0.10,0.13,0.13,0.13,0.15,0.15,0.15,0.20,.20,0.20]; T = 599; YA = [0.474,0.635,0.395,0.400,0.445,0.540,0.449,0.517,0.537,0.482,0.423,0.522]5 yB = [8.485,0.331,0.588,0.567,0.528,0.432,0.508,0.445,0.430,0.457,0.532,0.432]3 yC = 1-(yhtyB) 5 Calculated Data Points PA = P.*FAB. / (FAO+FBO) ; PB =P - PA Ws 1.5010%(1 ~ .5)5 % g/em3 Modelling to the Hougen Model ke = (1, 2, 1); PT = [PA’ Pa"); hhougen = @(k, PT) k(1)*PT(:,2).4PT(:42)./(1 + k(2)*PTI 1) + k(3)*PT(:,2)).925 % The Hougen Model Calculation of conversion XB = (1-yB.*(F50+FAO)./F80)" FB0 = F50"; neg_r = FB." B/W3 Model Fitting Fitting using the fitnim k.vals = fitnlm(PT, neg_r, hougen, ke); k = k.vals.Coefficients.Estimate(1); ka = k_vals.Coefficients.fstimate(2); kb = k vals. Coefficients.estinate(3); Display of results cle display('--- values of Constants - Values of Constants ---- fprintf("\n k= X.8F \n KA = %.4f \n kB = X.4F\n\n' jk, ka, kb) « = 0.87298000 KA = 4.1169 ke = -4.9558 PARTBae aw modelling to a P. Pao(1 =x) and P, = Pio(8,~ x) Substituting into rate eqn, Pbe = 1; tet_6 = 1.1; Fbe = 100; xdhi = @(H, x) ((K.*(PDA.*2).*(1-x).*(tet_B-x) )./( (eka. *Pb2.*(tet_B-x)+kb.*Pb2.*(1-x)).°2))./FDO; Wspane[@, 10000]; x0 = 05 [wei, x odes (dxdW, Wspan, x0); GRAPHS. xmax = max(x); % maxinum conversion max_wei = wei(Find(x == xnax ))3 % max. weight at cnax fprintf(* Maximum conversion = %.4f and it occurs at Weight = %.3#\n\n" ,xmax,max_wel) Maximum conversion = @.9975 and it occurs at Weight = 1¢000.000 new_r = Fb@.*x./wed; subplot (2,1,1) plot(wei, x), title('A Graph of Conversion Vrs Neight') xlabel('Weight [kg]'), ylabel('X [-]"), grid minor subplot (2,1,2) plot(wei, new_r), title('A Graph of rp Vrs Weight"), grid minor xlabel('Weight [kg]"), ylabel('r_8 [ mol / g.cat-sec ]') A Graph of Conversion Vrs Weight x os © 1000 2000 3000 4000 5000 6000 7000 8000 9000 10000 Weight [kg] AGraph of r, Vrs Weight fg [mol / g.cat-sec] BE ‘© 1000 2000 3000 4000 5000 6000 7000 8000 9000 10000 Weight [kg] TABLES T= table(new-r, wei, x) 10.26088 0.29661, 0.8037 73004 e7a88 2145, 99198 e 0.087872 0.078896 e.e7i611 e.962141 0.0549 2.049175 ° 0.022262 @.204as25 0.006787 0.089049 0.020036, 9.031167 0.042298 0.05343 0.10983 e.16474 8.2208 0.27605 2.55433 0.83261 Lares 1.3892 2.7806 4.172 5.5634 6.9548 9.8541 12.753 15.653 18.552 23.6 228.649, 33.697 38.745, 47.778 56.81 65.043, 74.876 90.572 106.27 121.96 137.66 164.71 191.75 218.8 245.84 291.82 337.8 383.78 429.76 507.23 584.69 662.15, 739.61 269.09, 998.57 128.1 1257.5 anna 1687.2 [email protected] e 5.02320-05 @.eeei004s @.00015066 @,e0020085 00045165 @,60070213 ,00995232 6.812022 @.0024471, a.036e45 @.e049147 2.961375 @.e12146 2.017986 0.023666 2.029196 2.054863 0.077736 0.098385 @.11722 0.1519 @.18173, 2.20792, 0.23127 0.2668 0.29722 0.32379 0.34739 2.38309, 2.41496 0.44173 0.46531 2.50055, @.53013, 2.55547 2.5764 e.61024 2.63733, 0.66031, 6.68025, 2.70894 0.73252 0.75232 2.76934 0.79341 81295, e.a2ais e.88294 @.86212 0.87745, 2.88999 @.90054 e.s1495, 2.92629 0.93535,PA = PA; PB = PB; ° e.04asa ao147 36545 933537 030986 (28797 626896 0.02523, 023758 2248 ez274 20216 19258 18326 0.01759 16859 exs186 015564 xaos 14853 013955 e13a89 013053 12645 12261 11899 ou1sse 011236 10932 10676 10432 ex0198 0999753, 2116.9 2366.9 2616.9 2865.9 3116.9 3366.9 3616.9 3866.9 4116.9 4366.9 4616.9 4866.9 5116.3, 5366.9 5616.9 5266.9 6116.9 6366.9 6616.9 6865.9 m16.3 7366.9 7616.9 7266.9 8116.9, 8366.9 8616.9 8865.9 9116.9 9337.7 9558.5 9779.2 10000 0.94288, 2.95025, 0.95636, 2.96147 2.96583, 0.96957 @.97281, 2.97563, @.9781 6.98027, @.98219 0.9839 2.98542, 0.98678 2.98799 2.98909 @.99007 2.99096 0.99176, 6.99288 @.99314 0.99373, 0.99427 2.99476 0.99521 0.99562 2.99599 0.99633, 0.99663, 0.99688, e.99712 0.99733, 0.99753, format short 2 = table(PA, PB, x8, neg_r) Re Pa 0.05 0.065, eaio21 954628 osr778 72222 970833 82143 984375 en sass e.ni111 Pe ees 0.035 0.058079 0.075372 0.072222 0.087778 0.078167 0.267857 2.265625 en etn 0.088889 0.03 0.054286 -0.012421 6.022055 2.0896 0.028, 0.037474 2.816316 0.017343 2.086 0.0424 0.028 rege 0.002 0025333, 022027 0032053, 082667 (0037333, 0047467 2020667 2.0024 0.011467 e.00848 0.00488