Treatment of Compounds at High Temperatures

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This explains the main idea about how MALT/CHD makes use of compounds having high temperature data in construction of the chemical potential diagrams at higher temperatures than room temperature.

1. Categories of compounds in terms of the availability of high temperature data.
   
   • No high temperature data:
     • Since the MALT for windows can handle the compounds which have the high temperature data, those species, particularly aqueous species, whihc have no available high temperature heat capacities, are stored in the MALT database by specifying this fact by setting the valid temperature range as 298.15-298.15 K.
       
     • Those compounds are normally excluded at high tempreatures in the construction procedures mandatorily. The number of excluded compounds at the selected temperatures is given in the message panel in the Fixation Form.
       
     • In the [Chemical Potential Table] Form or [Select Compound] dialog, those compounds at high temperatures are indicated by red characters.
       
     • This policy is adopted to avoid the misleading users to wrong interpretation. Even so, some users may stop this policy and may want to use those data in the users' responsibility for resulting relations. See details of how to relax this mandatory exclusion.
       
     
     
   • High temperature data beyong the valid temperature range
     
     • The valid temperature range is given for respective compounds; these are given in the MALT compound list. In the CHD, those compounds beyond the valid temperature range are specified in the blue characters or frame. This is just worning.
       
   • Within the valid temperature range
     
     No indication will be given.