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

In summary, for a simple paper involving math and chemistry, one could explore topics such as crystallography and symmetry groups, mass balances and flowsheeting, or the naming of organic compounds from a formal language perspective. For those with a basic understanding of chemistry and calculus, analyzing first-order ordinary differential equations for chemical kinetics could be a viable option. For more advanced students, topics in physical chemistry or group theory and its applications to chemistry could also be interesting avenues to explore. Software such as Matlab, Octave, or Freemat could be used to solve numerical problems, and knowledge of mathematics in areas such as oxidation-reduction reactions and neutralization reactions would be helpful in understanding and analyzing chemical processes.
  • #1
deepani
5
1
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.
 
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  • #2
deepani said:
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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  • #3
deepani said:
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.
 
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  • #4
Obvious ? Simple ? :smile:

How about mass balances, flowsheeting, etc etc ?

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  • #5
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.
 
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  • #6
It could be interesting to analyze the naming of organic compounds from the point of view of formal languages.
 
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  • #7
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
 
  • #8
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.
 
  • #9
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.
 

1. What is mathematical chemistry?

Mathematical chemistry is a branch of chemistry that uses mathematical methods and models to understand and predict the behavior of chemical systems. It involves the application of mathematical concepts, such as statistics, differential equations, and graph theory, to analyze and interpret chemical data and phenomena.

2. What are some examples of topics in mathematical chemistry?

Some examples of topics in mathematical chemistry include molecular structure and bonding, reaction kinetics, thermodynamics, and quantum chemistry. Other areas of research may include computational chemistry, cheminformatics, and bioinformatics.

3. How does mathematical chemistry contribute to the field of chemistry?

Mathematical chemistry plays a crucial role in advancing our understanding of chemical processes and systems. By using mathematical models and simulations, scientists can make predictions and design experiments to test their hypotheses. This helps to accelerate the discovery and development of new drugs, materials, and technologies.

4. What are some resources for learning about mathematical chemistry?

There are many resources available for learning about mathematical chemistry, including textbooks, online courses, and research articles. Some recommended textbooks include "Mathematical Methods in Chemistry" by Mark S. Gordon and "Mathematical Chemistry and Chemoinformatics" by Pekka Manninen. Additionally, websites such as the American Chemical Society and the International Society for Mathematical Chemistry offer information and resources for those interested in the field.

5. How can I approach writing a paper on mathematical chemistry?

To write a paper on mathematical chemistry, it is important to first choose a specific topic or research question to focus on. Then, gather relevant information and data from reliable sources, such as scientific journals and databases. Next, analyze and interpret the data using mathematical methods and models. Finally, organize your findings and write a clear and concise paper that presents your research and conclusions. It may also be helpful to consult with your professor or a mentor for guidance and feedback throughout the writing process.

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