Three biggest factors to determine if atoms will bond

In summary, the speaker is working on a side project to create a simple atom and molecule simulator, but acknowledges that it will not be 100% accurate due to their lack of degree in physics and processing power limitations. They have currently implemented a simplified model for bonding and determining molecule shape using electrostatic repulsion between electrons, which seems to work for simple hydrocarbons. Their ultimate goal is to simulate combustion reactions, but as they only have a high school education in chemistry, they are seeking advice on how to make the simulation more realistic without compromising computational efficiency. The conversation also mentions the importance of considering factors beyond valence, such as the VSEPR theory and Lewis structure, in predicting the behavior of molecules.
  • #1
NotASmurf
150
2
Hey all, I am looking to make a simple atom and molecule simulator for a side project, I know it obviously has no hope of being 100% accurate due to my lack of degree in physics and processing power restrictions.

So far I have made them bond according solely to valence rule (which I know its a simplified model in itself riddled with exceptions, and the molecule shape is currently being determined by finding lowest resistance configuration of the atoms using a simplified model of electrostatic repulsion between the electrons, the program seems to get the shape of some simple hydrocarbons correct,

My final goal is to get it to be able to simulate combustion reactions on a small scale.

this is not my area as I have only a completed high school education of chemistry, my main field is computer science. What other factors could I add to add realism without becoming too computationally expensive? Any advice appreciated.
 
Chemistry news on Phys.org
  • #2
Valence can't be all that matters, you don't see uranium hexahydride, anybody got any two other things that count that don't require insane systems of Schrodinger equations?
 
  • #3
Predicting how the molecules look like and how they react is what you learn studying chemistry. If there were reasonable shortcuts they would be taught during a one semester crash course, not over several years :wink:

What you did so far with geometry sounds a bit like equivalent to https://en.wikipedia.org/wiki/VSEPR_theory - but without lone pairs.

For simple molecules https://en.wikipedia.org/wiki/Lewis_structure is a reasonably good tool for predicting the formula.
 
  • Like
Likes NotASmurf
  • #4
Thank you for the link to VSEPR :D,
 

Related to Three biggest factors to determine if atoms will bond

1. What are the three biggest factors that determine if atoms will bond?

The three biggest factors that determine if atoms will bond are the number of valence electrons, electronegativity, and the size of the atoms.

2. How does the number of valence electrons affect bonding between atoms?

The number of valence electrons determines the reactivity of an atom. Atoms with a full valence shell are more stable and less likely to bond, while atoms with partially filled shells are more reactive and tend to bond with other atoms to achieve a full valence shell.

3. What role does electronegativity play in determining if atoms will bond?

Electronegativity is a measure of an atom's ability to attract electrons. Atoms with a large difference in electronegativity are more likely to form ionic bonds, while atoms with similar electronegativity tend to form covalent bonds.

4. How does the size of atoms influence bonding?

The size of atoms plays a role in determining if they will bond. Smaller atoms tend to form covalent bonds, while larger atoms tend to form ionic bonds. This is because smaller atoms have a greater attraction for electrons and can share them more easily, while larger atoms have weaker attractions and are more likely to transfer electrons.

5. Can other factors besides these three influence if atoms will bond?

Yes, there are other factors that can influence the bonding between atoms, such as the presence of lone pairs, molecular geometry, and the strength of intermolecular forces. These factors can impact the type and strength of the bond that forms between atoms.

Similar threads

What is the force responsible for bonding between atoms in a covalent molecule?
    • Chemistry
Replies
16
Views
2K
What is the exact definition of an octahedral hole in an ionic solid?
    • Chemistry
Replies
2
Views
904
What factors determine the acidity of hydrogens in vitamin C?
    • Chemistry
Replies
4
Views
2K
MHB Computation of bond angles and other angles in tetrahedral
    • General Math
Replies
2
Views
1K
Water molecules effect on Hydrogen bonds in precipitation
    • Chemistry
Replies
2
Views
2K
Dalton's atomic theory, Avogadro, and caloric theory
    • Chemistry
Replies
4
Views
2K
Determine if a Molecule is Polar - Steps & Tips
    • Chemistry
Replies
4
Views
2K
How to determine the movement of electrons between atoms
    • Chemistry
Replies
6
Views
2K
Chemistry How do we know ##BF_3## has Lewis structure but ##Al_2S_3## does not?
    • Biology and Chemistry Homework Help
Replies
1
Views
692
HelloI would like to know the factors that determine the
    • Chemistry
Replies
1
Views
2K

Hot Threads

Recent Insights

Back
Top