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Author Topic:   Help on redox reactions
yenmor
Member (Idle past 3682 days)
Posts: 145
Joined: 07-01-2013


Message 1 of 8 (707601)
09-28-2013 11:09 PM


Hello, I've been writing a program to help students and chemists with calculations and stuff. My app already has a formula calculation, concentraiont, balancer, etc. The two big things I'm working on right now is calculating the redox reactions (balance, determine which is the reducing agent and which is the oxidating agent) and 3-D modeling of molecules. It's so cool, you can choose a carbon atom and attach hydrogen to it to give it a tetrahedral shape. Because the app renders the model in 3-D, you will be able to see it from any angle. I'm sure once people get used to this they will be able to create very creative and complex molecular models.
Anyway, what I'm having trouble on is the damn redox reactions. The algo I have for it right now solves very complex redox reactions. Like the following.
What my algo has trouble with is when to add an H+ ion and on what side and when to add H2O and on what side.
I know how to do it by hand. Human intuition is always a plus. But I'm trying to figure out a programmatic way to solve it.
Just exactly when do I add an H+ and how do I know which side to add? And when and where for H2O?
Help in this will be greatly appreciated.

Replies to this message:
 Message 2 by NoNukes, posted 09-29-2013 12:12 AM yenmor has replied

  
yenmor
Member (Idle past 3682 days)
Posts: 145
Joined: 07-01-2013


Message 3 of 8 (707904)
10-02-2013 12:12 AM
Reply to: Message 2 by NoNukes
09-29-2013 12:12 AM


Ok, please demonstrate for us how you would go about balancing the following with half reactions like you said.
Cr7N66H96C42O24+MnO4(-1)+H(+1)⇌Cr2O7(-2)+Mn(+2)+CO2+NO3(-1)+H2O
Edited by yenmor, : No reason given.

This message is a reply to:
 Message 2 by NoNukes, posted 09-29-2013 12:12 AM NoNukes has replied

Replies to this message:
 Message 4 by NoNukes, posted 10-02-2013 1:13 AM yenmor has replied

  
yenmor
Member (Idle past 3682 days)
Posts: 145
Joined: 07-01-2013


Message 5 of 8 (707912)
10-02-2013 5:34 AM
Reply to: Message 4 by NoNukes
10-02-2013 1:13 AM


Well, the algo I got right now works for that equation just fine. The answer in the display matches what is published in the literature, so it's correct.
I guess working on several projects at the same time is taking its toll. I'm developing a 3-D modeling software, crunching some data for my company, checking someone's design, and this redox thing at the same time. I also have to prepare for a presentation next week to a bunch of college kids. These critters can smell blood!
Edit.
As I was saying, I used a different approach with the programming to get that result. I'll have some time tomorrow to work on this, so I'll try to write out another subroutine using the half reduction thingy you speak of.
One question. Do you always add the H+ on the left side and the H2O on the right side?
Edited by yenmor, : No reason given.
Edited by yenmor, : No reason given.

This message is a reply to:
 Message 4 by NoNukes, posted 10-02-2013 1:13 AM NoNukes has replied

Replies to this message:
 Message 6 by NoNukes, posted 10-02-2013 8:22 AM yenmor has not replied

  
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