Evgenii B. Rudnyi

Blog http://blog.rudnyi.ru

 Name                    Last modified       Size  

 Parent Directory        25-Mar-2009 15:34      -  
 mn/                     25-Mar-2009 15:34      -  
 va/                     25-Mar-2009 15:34      -  
 eqconst.for             31-Dec-2004 13:51    20k  
 eqconst.old.for         14-Mar-1993 22:48    20k  
 makefile                31-Dec-2004 13:02     1k  

http://Evgenii.Rudnyi.Ru/

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

Determining enthalpies of formation from equilibrium constants
==============================================================

The archive contains the code that I have written in 1992 to compute
results of my papers [1] and [2].

eqconst.old.for is the original code that was written for Lahey
compiler (required LIN3VP from IMSL). 

I have fixed the code and now eqconst.for can be compiled by g77 3.4
on my Mac.  I have changed the call to LIN3VP to a Lapack equivalent
(change makefile to specify the right location of Lapack libraries). 

In the directories va and mn there are data file for [1] and [2]
accordingly.  *.old.lst are the old listings, *.lst are the listing
from the fixed code.  Basically they are the same. I needed to change
end of lines in the *.dat files to the Unix style. Otherwise, there
were complaints from the code. This means if you complile it for
Windows, you may need to change end of lines to the Windows style.

Directory va (paper [1]):

vanad.dat is for the pure Second Law treatment;
vaniiif.dat is for pure Third Law treatement;
vaniii.dat is for mixed treatment (chosen for publications).

Directory mn (paper [2]):

manganes.dat is for pure Second Law treatment;
mangiii.dat is for pure Third Law treatment (chosen for publication).

Datafiles should be undestandable provided you have read papers. Feel
free to contact me if you have any question. My e-mail address can be found 
at http://Evgenii.Rudnyi.Ru/. I still like these papers and will be glad 
to assist you.

[1] E. B. Rudnyi, E. A. Kaibicheva, L. N. Sidorov. Negative ions VO2-,
VO3-, V2O5-, V3O8-, and V4O10- in the vapors of vanadium oxides.
Determining enthalpies of formation from equilibrium constants. J.
Chem. Thermodynamics, 1993, v. 25, p. 929-947. 

[2] E. B. Rudnyi, E. A. Kaibicheva, L. N. Sidorov. Enthalpies of
formation of the negative ions MnO2-, MnO3- and MnO4- as determined by
the ion-molecule equilibria method. Rapid Comm. Mass Spectr. 1993, v.
7, N 9, p. 800-804.