http://Evgenii.Rudnyi.Ru/

Evgenii B. Rudnyi, 2004
Use at your own risk.

Vaporization thermodynamics of KCl
==================================

In directory, there is the code that has been written to make computations for papers [1] and [2]. I have made it in 1992 for Lahey compiler at my PC.

I was able to fix the code to work with g77 3.4 on my Mac. It happened not to be too difficult. The most puzzling is that when nowadays one prints an integer with F format, the result is zero. Look at testPrint.for, in the old time one would receive 1.000 as output. Strange, isn't it?

Requirements: IMSL subroutines ZXSSQ and LINV3P. The latter can be change to a LAPACK equivalent (see my eqconst) but still one needs ZXSSQ. Well, some replacement is in TDLIB'00.

*.old.lst are old listings. The new listings are quite close (use diff -b). There is some difference but it probably can be ignored. The most funny is zeros on the diagonal of the correlation matrix. The reason is in testPrint.for.

Files:

Experimental Data
-----------------

kcl.cp contains the heat capacity;
kcltotal.dat contains all the experimental data to process;
dhscor1.for contains code that is used by all other routines. It reads the files above.
 
The statistical hypothesis for ML
---------------------------------

dkcl_ml1.q contains the expert conclusion. This file is read by *_ml? code.

Main code
---------

dkcl.for computes the OLS solution in [1] and [2]             
dkcl_ml1.for computes the ML(II) solution in [1] and [2]                  
dkcl_ml2.for computes the ML(III-1) solution in [1] and [2]    
dkcl_ml3.for computes the ML(III-2) solution in [1] and [2]


[1] E.B. Rudnyi, D.W. Bonnell, D.W. Hastie. Vaporization thermodynamics of KCl. Combined processing of total vapor pressure and evaporation rates.  Vestn. Mosk. Univ., ser. Khimiya, 35, 291-308 (1994) (in Russian). Moscow Univ. Chem. Bul., 1994, N 2 (English transl). 

[2] E.B. Rudnyi, D.W. Bonnell, D.W. Hastie. Vaporization thermodynamics of KCl. Combining vapor pressure and gravimetrics data. Unpublished manuscript, 1998.

