For direct use with ChemApp, ChemSheet and SimuSage but also for up-loading into FactSage GTT provides on customer demand thermochemical data for particular applications. Over the years we have accumulated a fair number of datafiles for a wide range of applications. These data files are “ready for use” and can be ordered at any time.
However, there are cases where neither the customized datafiles nor even the comprehensive databases by FACT or SGTE contain all the data that are needed for a particular application. If you have such a requirement do not hesitate to contact us anyway. We are here to assist you in such cases and will use the existing data as a basis for an extension or up-grading.
In many cases a literature survey may reveal additional assessments which can be incorporated into existing datafiles. With the literature database by SGTE we have a unique tool at our disposal that permits us to execute such work efficiently. For the data handling that is necessary in such cases we have developed in-house tools that help us to do the job quickly and reliably. However, even if the literature search reveals no thermodynamic data, i.e. coefficients of Gibbs energy equations, we can most likely help. Our “toolbox” also contains software for the assessment of Gibbs energy coefficients from experimental data provided by the user or found in the literature, and there are even some estimation methods available which permit to generate data for unusual chemical systems when no experimental information is available.
It is important that users of customized datafiles are able to understand and appreciate the basis upon which the thermochemical data are generated, and are aware of limitations that may exist in the applicability of such data and also of the sometimes restricted reliability of the results when such data are used for calculations outside their intended primary area of application. We recommend that users of customized data co-operate closely with GTT in order to avoid misunderstandings and disappointments.