» 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
»