»start301b
Copyright 1996 Rice University
All rights reserved
 
If you have not run the FORTRAN program start301a to
produce a data file, do so now or you can just set
the names without any data. A blank reply for
the file name will let you just set the names.
Give the name of your data file:acb
How many streams will there be?1
Here are your compounds' formulae and names:
No. Formula Name
 1 CH3COCH3 acetone 
 2 CHCl3 chloroform
 3 C6H6 benzene 
»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
»