Jump to content

Chemical calculator poll


Borek

Recommended Posts

Some of you are aware of the fact I have already prepared two chemical calculators (see signature). I am planning to extend the line of programs and I have several ideas about what could the next calculator do. However, before starting work I decided to do a quick poll:

 

What type of calculations would you like to have automated?

 

Which calculations are the most tedious?

 

Which calculations are eating most of your time, regardless of the fact that you know how to do them?

 

Best,

Borek

--

Chemical calculators at www.chembuddy.com

pH calculation

concentration calculator

Link to comment
Share on other sites

that would take waaaay too long. you can buy such software for a few thousand dollars.

 

And it is not enough to put reagents in, as parameters like pressure, temperature or pH can change everything. I doubt such software will be ever able to predict all reactions.

 

Best,

Borek

--

Chemical calculators at www.chembuddy.com

pH calculation

concentration calculator

Link to comment
Share on other sites

how bout one where u put in reactants, and if necessary the calculator will balance it and show the products.

Computing the products, given a set of reactants, is impossible with the current state of art of computers and the current precision at which the conditions can be modelled. The results frequently depend on the conditions as well. These computations require massive quantum mechanics computations over thousands or even millions of atoms in order to simulate a somewhat realistic macroscopic system.

 

Balancing equations is another thing and is not that difficult. I've written a program in C, which does that for you, by computing an integer null-space of a certain matrix. The program gives all possible reactions, given a set of reactants and products. Look at

 

http://81.207.88.128/science/chem/chemeq

 

However, YOU are the one who must tell the program what are the reactants and the products. Shit in ==> shit out! The program just helps you with the tedious and error prone math.

Link to comment
Share on other sites

Create an account or sign in to comment

You need to be a member in order to leave a comment

Create an account

Sign up for a new account in our community. It's easy!

Register a new account

Sign in

Already have an account? Sign in here.

Sign In Now
×
×
  • Create New...

Important Information

We have placed cookies on your device to help make this website better. You can adjust your cookie settings, otherwise we'll assume you're okay to continue.