Jump to content
RockWare Support Forum

[OLD] Thermo database - citrate species

Recommended Posts

From: Henry Kerfoot

Subject: Thermo database - citrate species

I am trying to develop a database with citrate and its complexes with H+, Ca, and other metals. I have (estimated) values for delta G and delta H of formation. I am putting 'Citrate---', 'HCitrate--' , and 'H2Citrate-' in the species list, along with other citrate complexes. However, whenever I try to read the database, the program says there is an error. Where can I find detailed instructions on the format and specific entries in the database? I have not found it in the manual for Release 3.1. I recall reading a post that noted that the entry of the specific number of species in the file needs to be changed to reflect added species, and I have done that but I cannot figure out what I am doing wrong.

From: Craig Bethke

Subject: Re: Thermo database - citrate species

I think you will find that Appendix 3 of the User's Guide contains details of the format of the thermo data. If you have misplaced your copy, you can download one from our web site.

From: Laiq Rahman

Subject: Re: Thermo database - citrate species

I don't have the manual to hand, but I recall that it mentions that H and O need to be the first species listed in the basis. Perhaps this is the cause?

Link to comment
Share on other sites

Create an account or sign in to comment

You need to be a member in order to leave a comment

Create an account

Sign up for a new account in our community. It's easy!

Register a new account

Sign in

Already have an account? Sign in here.

Sign In Now

  • Create New...