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Topic: Software for Chemical reactions  (Read 1821 times)

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Offline new2this

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Software for Chemical reactions
« on: November 05, 2012, 02:59:18 AM »
I've searched the internet with no luck. I'm looking for a software application, where i can give it chemicals or elements to combine, and have it give me an outcome of what, if anything is produced. For instance if i wanted to give it C and O it would tell me CO is what is formed. I hope i've explained what i'm trying to find.

Offline Borek

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Re: Software for Chemical reactions
« Reply #1 on: November 05, 2012, 03:50:52 AM »
For instance if i wanted to give it C and O it would tell me CO is what is formed.

Why not CO2?

That's the problem with this approach and that's why it doesn't work. Outcome of the reaction depends on way too many factors to be easily predicted. In a way all chemistry is about predicting reaction products, and you want to squeeze all we know into one program?

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Offline ChapMuthu

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Re: Software for Chemical reactions
« Reply #2 on: November 06, 2012, 12:12:15 PM »
Theoretically speaking, if we can put all the data regarding chemical reactions (known to us) into a database and allow the user to input not only the chemicals, but also the other parameters such as amount (moles) of reactants, temperature, pressure(for gasses) etc.. and then use a hashing algorithm to checks the user input against that database, we can predict the result of a chemical reaction. However, such a database will be unnecessarily large and useless.

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