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how to simulate chemical reaction

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Old   July 12, 2005, 05:12
Default how to simulate chemical reaction
Jun von Wang
Posts: n/a
hello everyone:

I would like to simulate a chemical reaction.I only know the reaction equation´s enthalpy ∆hr=8047k/mol ,how to simulate it .I look up the tutorial 14"modeling surface chemistry",we should know the species´ Standard State Entropy and Enthalpy.But as to my reaction equation,there is only one species that i dont know its Standard State Entropy and Enthalpy,but i have known all the other reaction species´ Standard State Entropy and Enthalpy.with the reaction equation´s enthalpy ∆hr=8047k/mol and other species Standard State Entropy and Enthalpy how can i get that unknown ones´s Standard State Entropy and Enthalpy. or only with the reaction equation´s enthalpy how to input the value,where and how. Please help me .

Thank´s a lot in advance.

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