» start301 Copyright 1998 Rice University All rights reserved Welcome to CENG301's start301!! You have three choices, Please read them carefully Then click on the appropriate choice in the menu bar 1: Click (1) to start a new session <-- Choose New Session 2: Click (2) to enter the name of a datafile from a previous session, in the current directory 3: Click (3) to use compound names not in the CENG 301 database WARNING...if you hit (3) no compound data will be available Now choose from the above menu <-- Choose Mass & Energy Please wait while loading database... Which units do you want to use for temperature? <-- Choose Kelvin Choose one from the menu Input the name of your new file: acb98 The output file name is: acb98 Input the number of compounds: 3 The number of compounds is: 3 Enter the name of compound # 1:acetone Enter the name of compound # 2: chloroform Enter the name of compound # 3: benzene Enter the number of reactions: 0 Here are your compounds' formulae and names: No. Formula Name ---------------------------------------- 1 CH3COCH3 acetone 2 CHCl3 chloroform 3 C6H6 benzene Here are your reactions: ---------------------------------------- No reactions given Enter the number of streams: 1 The variables for your compounds have now been created, you may continue, or come back later and reload the same data. »load acb.dat »size(acb) ans = 53 5 »XGacb=terf2(acb,101.325); <- A modified version of terf1 to handle »XGacb(1:2,:) data arranged as in acb ans = 0.0190 0.0610 0.9200 1.4702 0.8347 1.0115 0.0540 0.5220 0.4240 0.8798 0.9233 0.9821 »global Amar gamf XG »XG=XGacb; »gamf='marg1'; <- See the description of the Margule's program »minvle([0 0 0]) <- See the description of this minimizing fn ans = 22.0044 0 0 0 »fmins('minvle',[0 0 0]) ans = 22.0044 0 0 0 ans = 22.0103 0.0003 0 0 ans = 22.0010 0 0.0003 0 ...... <- A lot of iterations later: ans = 1.7977 -0.7136 0.4276 -0.2045 ans = 1.7977 -0.7136 0.4277 -0.2045 ans = -0.7136 0.4276 -0.2045 »Amar Amar = -0.7136 0.4277 -0.2045 <- These are the three parameters in the fit »bubergp(1,acb,101.325) <- A variation on buberg ans = 351.4010 0.0550 0.0856 0.8594 351.0000 0.0560 0.0860 0.8580 351.3431 0.0385 0.1041 0.8574 »[ersM,ersI]=bubergp2(acb,101.325) <- A variation on buberg2 ersM = 0.4010 0.1355 0.0097 0.0036 <- Margule's errors: max abs error in t, ersI = rms error in t, max abs & rms errors in y1 4.8360 2.4093 0.0458 0.0263 <- Ideal errors 0.5927 0.2648 0.0161 0.0064 <- Van Laar from Aspen »