Support for Old MALT compound file (mcf)

Supports for Old "MALT compound file" Created in the Old MALT version

1. Reading information from "MALT Compound Files"
   
   1. Backgroud
      
      • As described elsewhere, the use of the MALT Compound Files is essential for proper utilization of the MALT database system.
        
      • This is convenient for custamization for a series of thermodynamic analyses on the specified compound system.
        
      • Note however that the MALT comppound files (.mcf) do not include the thermodynamic properties themselves; instead, these files contain the information of the registered number of the compounds stored in the MALT Database. On the update of database, the MALT main database has been reconstructed and therefore provides the different set of the registered numbers for respective compounds.
   2. Comparison
      
      • The detailed comparison between the old and renewal database is given in the manuals(Compoundlist.pdf).
   3. Conversion of registrated data
      
      • When the new MALT system makes an attempt of reading the MALT compound file which was saved inside the old MALT system, the automatic conversion of the registered numbers to the renewal numbers will be made whenever the MALT system recognized that the targeted MALT compound file is for the old MALT main database.
   4. Thermodynamic Data Update
      
      • For those many compounds which were stored in the old MALT database, their thermodynamic properties are adopted in the present verion withou any changes. Some of compounds are however replaced in the thermodynamic data or in the chemical formulae. Those compounds can be identified in the List of updated compounds.
      • Note that those compounds are replaced automatically with the new numerial data or with the new chemical formulae.
   
   
2. How to compare the thermodynamic data between the old and the new versions.
   
   Old data of those updated compounds are stored in the user database text file named as 'MALTOldComps.txt'. This can be compiled and be selected as the User Data Base during the retrieval proceure.
   

   	Tools > User Data > Compile User Text File
   	Tools > User Data > Load User Database

   
   
   • This maikes it possible to compare two values. The easiest way is to make a reaction equation consisting of the old and the new compounds. The following table is gien by selecting Ni2Si in the MainDB and in the MALTOldComps.udb.
   • In the title, Ni2Si* and Ni2Si are given. Here, the asterisk '*' indicates that this compound is taken from the User database.
     
     Table Comparison of Old and New data concerning Ni2Si by using the reaction between two compounds.
     
     
     • This table shows that the modification is made in the Standaard enthalpy change for formation and no change was adopted in heat capacities.
     • In the memo field of this dialog shows more detailed information for the thermodynamic properties for respective compounds.
       
     
     
3. How to use the old data instead of the renewed data in the updated Main database.
   
   • Compile the MALTOldComps.txt into MALTOldComps.udb.
   • Load this MALTOldComps.udb.
   • Retrieve compounds to be targeted.
   • Select menu Search Compounds > Delete Compounds.
   • Select The target compound; for example, Ni2Si and then hit OK button.
     
     Table Form: Delete compounds selecting Ni2Si
     
     
     
     
   • Message 'Do you make this compound out of targets for retrieval?' appears.
   • Hit yes. Then, in the following retrieval procedures, this compound will not be displayed.
   • To confirm what compounds are registered as out of target, select

     Search Compounds > Out of Targets

     
     Table [Out of Targets Form] after deleting Ni2Si
     
     
     • Select Remove button when this excluding procedure should be stoped.
     
     
4. For deleted compounds in the Old MALT Compound File
   
   • For those compounds which were deleted on the update of the database, the automatic conversion will fail and thus will lead to removing this compound out of the compound table. Since a set of compounds are not reproduced properly, the further treatment of reconstruction of the data conversion will not be made.
     
   • When those compounds are needed in a calculation, please reselect the compound table by using the MALTOldComps.udb as the user database.

MALT Main Menus   MALT Commands   MALT Dialogs   MALT Files