webmaster Posted December 26, 2004 Share Posted December 26, 2004 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? Quote Link to comment Share on other sites More sharing options...
Join the conversation
You can post now and register later. If you have an account, sign in now to post with your account.