I need to write a paper on mathematical chemistry -- Any suggestions?

[deepani]

I can choose any topic. The paper doesn't have to be original. Please suggest a simple paper to write which involves math and chemistry. I am in second year university.

 

[BvU]

I am in second year university.

If you pardon my french: nobless oblige !

It doesn't have to be original -- nice -- but it's your paper !

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[fresh_42]

I can choose any topic. The paper doesn't have to be original. Please suggest a simple paper to write which involves math and chemistry. I am in second year university.

Edit: The most obvious One overlap is crystallography and the symmetry groups.

 

[BvU]

Obvious ? Simple ?

How about mass balances, flowsheeting, etc etc ?

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[jedishrfu]

There are some refs to mathematical chemistry journals etal in the wiki articla

https://en.wikipedia.org/wiki/Mathematical_chemistry

im sure you can find an interesting topic there.

my first thought was on differences between molarity and molality calculation uses in chemistry but that may be more of a high school topic. I just remember the confusion I had when learning about these two Concepts.

 

[fresh_42]

It could be interesting to analyze the naming of organic compounds from the point of view of formal languages.

 

[jasonRF]

How much math and chemistry have you learned? If you only know basic chemistry and some calculus, you could discuss the first-order ordinary differential equations that describe chemical kinetics. Often there are multiple reactions so there is a set of coupled differential equations. There might be analytical solutions, but you can also find numerical solutions using black-box solvers in software packages such as Matlab (or the free version, Octave). Especially if you find a compelling application this could be an interesting project that would be within reach of most second year students.

At a more advanced level, if you have learned physical chemistry then there are many options as it uses a lot of the same kinds of math that physicists use. Likewise, I had a roommate in college that took the 'honors' first year chemistry sequence and he learned group theory and applications to chemistry, which would be interesting.

jason

 

[jedishrfu]

I would add Freemat to that list of software. Its arguably better for cloning core Matlab functionality. I preferred it over Octave.

In addition, there's the relative newcomer Julia that is quite awesome too.

end of commercial and now back to our regularly scheduled thread.

 

[symbolipoint]

One would be aware of plenty of Mathematics used in Chemistry after having first year's worth of General Chemistry. A couple of things come to mind are Nernst Equation for oxidation-reduction reactions, and the typically Intermediate-level algebra necessary for handling neutralization reactions of weak acids and bases.