# Tagged Questions

Study of macroscopic and microscopic phenomena in chemical systems in terms of physical laws and concepts [thermodynamics, statistical mechanics, kinetic theory, quantum mechanics...].

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### Force field for calcium ions, potassium ions and water in molecular dynamics

I want to adapt my existing MD simulation so that it can handle these three species. For the interactions of the ions I thought that I would use the coulomb potential, but I don't know what sort of ...
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### Would it be correct to state that all the forms of everyday matter (mountains, tables, buildings, people, etc.) are in a metastable state?

We had a fire going in the backyard of a friends house this weekend, and after thinking about the chemical reactions occurring in the wood (and anything else we threw into the pit), I started to ...
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### reactions in molecular dynamics simulations

EDIT: Apparently this is called reactive molecular dynamics. It seems that the ReaxFF potential function is used for some reactions like this. I am interested in adding support for reactions to a ...
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### How strong is the HCN Union when modelling with springs

I'm modeling the HCN Molecule with springs, giving the bounds between H and C the name k1 and between C and N k2. Is there any information of how strong is the bound? We were asked to get the ...
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### Physics behind blowing soap bubbles

Is it possible, using the surface tension of a soap bubble, to calculate the maximum pressure (created by the air flow) it can withstand while still attached to the orifice to prevent it from ...
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### On Thermodynamics of Spontaneity of the Reduction-Oxidation Chemical Reactions

According to the first and second law for a closed system containing different chemicals we have \begin{align} &\delta Q - \delta W = dU = T dS - p dV +\sum_i \mu_i d N_i\\ ...
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### What are the reactions that take place inside battery at the quantum level? [closed]

I was just studying about how a battery works on the internet and found out that there are reactions of chemicals which make the electrons move. But what exactly happens inside a battery (lets take a ...
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### When I stretch a rubber band, it breaks. When I hold the broken ends together, why doesn't it join again?

The question is simple. When we join the two broken surfaces, what is it that keeps the surfaces from connecting with each other, while earlier they were attached to each other? Also, would the two ...
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### FCC-to-BCC phase transition in NaCl, Buckingham or Lennard-Jones potentials?

Background The transformation from B1 (face centered cubic (FCC) type) to B2 (body centered cubic (body centered cubic (BCC) type) structures is one of the best documented high pressure phase ...
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### Free Expansion Of and Ideal Gas

We know that in free expansion of an ideal gas, no heat enters or leaves the system. We also know that $P_\text{initial}V_\text{initial}=P_\text{final}V_\text{final}$ is valid. If heat exchange ...
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### What makes the difference between ionic and covalent bonds?

Backstory: When I learned about chemical reactions, there were two types of molecular bonds: Ionic, where an atom or compound molecule with a low valence number loses those valence electron(s) to one ...
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### Boyle's Law-$PV= nRT.$ What equation should be used to find pressure if n is not constant, like in an elastic system?

When air is added to an elastic system, like a balloon, the volume and pressure change. Would use Boyle's Law- $PV=nRT,$ but n does not remain constant in this situation. Known: $V_1$ is at ...
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### How does the dissolution of salt affect the solution density?

Suppose you have a container of water as a solvent and you a certain amount of salt as a solute sitting at the bottom of the container that has yet to start dissolving. Supposing temperature and ...
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### Energy Per Dry Ice Mass Required By de Laval Expansion of Air?

There has been a lot of talk lately about CO2 extraction from air. Since there are rocket engines in which ice crystals precipitate in the exhaust when expanding into near vacuum, it seems dry ice ...
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