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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21 views

What factors are influencing a woosh rocket?

Not sure if this is too much chemistry, but I'll try: If I fill a plastic bottle with a small amount of rubbing alcohol, shake it around and hold a match to the bottle neck, I'll get a flame wooshing ...
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1answer
111 views

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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1answer
94 views

Physical distribution of salt anions and cations during electrophoresis

If I have a volume of $L$ liters of salt water at a concentration of $\approx N$ mM NaCl and I pour it into an electrophoretic apparatus (like this one: ). Once we turn the apparatus on, and set the ...
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1answer
84 views

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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1answer
273 views

Electrical Resistance and chemistry

Can some one describe or explain what happens when too much current is passed through lets say a copper wire, I am looking for an explanation to do with physics and chemistry. For instance we have ...
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1answer
34 views

Energy of a system if the nuclear repulsion increases

I have calculated the optimised geometry for a molecule. I have noticed that the energy of the nuclear repulsion increases with each iteration of optimisation. What is the logic behind this?
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24 views

Virial equation - Taylor expansion

I don't get how Taylor expansion over $ \frac{1}{\overline{V}} $ of Virial equation of state is carried: $Z = \frac{P\overline{V}}{RT} $ which yields $$ Z = 1 + \frac{B_{2V}(T)}{\overline{V}} + ...
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19 views

Maxwell relations | U goes down pressure?

Differentiating Helmholtz function $ A = U - TS $ with respect to $V$ we get: $$ (\frac{\partial A}{\partial V})_{\scriptscriptstyle T} = (\frac{\partial U}{\partial V})_{\scriptscriptstyle T} ...
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1answer
154 views

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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4answers
713 views

The “binding energy” of bonded particles adds mass?

This is a follow-up my previous question. Several of the answers indicated that the mass of a particle (atom, proton, etc.) increase with the "binding energy" of it's component particles - the energy ...
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2answers
63 views

Electrolysis boat engine

Would it be possible to create a submersible boat engine using the combined principles of electrolysis of water, ramjet propulsion, and hydrogen-oxygen combustion similar to that used in rocket ...
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1answer
159 views

What happens to gas molecules after ionization?

I know that gas molecules conduct electricity after they get ionized but what will happen if we keep increasing the voltage even after ionization? Will it explode? If it will then how much energy ...
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29 views

Does a fixed amount of gas have slighty more mass when at a higher temperature?

According to relativity, energy and mass are equivalent. Does this mean that the energy added to a fixed amount of gas when it is heated adds slightly to the mass of the gas? The difference would be ...
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35 views

Filling an empty box with ambient air

A rigid box has a volume of $V_1$ and is thermally isolated so that it exchanges no heat with its environment. Initially the box is empty, and the air around it has a pressure of $P_0$ and a ...
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5answers
3k views

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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4answers
10k views

Is it possible to flow current in open circuit?

As I know a battery is an example of a closed circuit where it can then produce electricity , electrons will flow from negative pole to positive. A chemistry representation of this battery is for ...
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2answers
33 views

Molecules from atoms [closed]

Why does two oxygen atoms combine to form a molecule and not 3 or 4?Also why does one sodium and one chlorine atom combine to form NaCl while two chlorine atoms are required to combine with one ...
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2answers
44 views

Correlation energy - is it the difference between the Hartree-Fock energy and exact energy, or Hartree-Fock PE and exact PE?

For some reason I can't find anything stating it either way explicitly. What I'm talking about is this. Is this difference referring to potential energies or just energies in general? I assume it's ...
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2answers
7k views

How to estimate the physical size of a molecule?

I'm reading some chemistry-related papers that employ concepts of droplet evaporation. Since I am no chemist, I am wondering: How can I estimate the actual size of a molecule, say succinic acid? An ...
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2answers
2k views

Obtain oxidation numbers from looking at electron configuration?

Suppose I know that Selenium has electron configuration $[Ar] 4s^2 3d^{10} 4p^4$. How can I use this information to then come to the conclusion that its possible oxidation states are 6, 4, 2, 1 and ...
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1answer
38 views

Why water expands when freezes? [duplicate]

I'm sure this is for most of you a basic question, but it really puzzles me: How it is that, even though all materials expand as they get warmer, and contract (maybe these are not the correct terms) ...
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5answers
158 views

What compounds or elements only have one phase or two phases?

Wood appears to be one. I think gases like helium and hydrogen cannot exist in the solid state under normal pressures, correct? And why do those "phase cheaters"-- those elements/compounds which ...
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2answers
74 views

Atomic orbitals

I just studied atomic orbitals in a theoretical QM class, and I'm left with several questions, that are probably more questions in quantum chemistry: Many orbitals seem to have a preferred axis - ...
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1answer
43 views

Why does sunlight cause colors to fade?

If you leave something outside, its colors seem to inevitably fade or bleach due to exposure. Is this due to UV absorption? What sort of mechanism causes this - is it that man-made dyes deform on a ...
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2answers
59 views

Why do corpses come back to water surfaces after sinking at first?

I want to know that why do dead bodies or corpses come back to the water surface after being sunk at first by the use of stones or anything. For what I can understand, I think it's due to water ...
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2answers
79 views

Questions about the strange character of antimatter

Its been a few days and i have just been introduced to the concept of antimatter. Every Speck of matter in the world has its anti form basically that we have antimatter whenever we have matter. But I ...
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1answer
38 views

Question regarding NaCl equilibrium separation

So I am tutoring someone later and one of the problems is from Eisberg/Resnick Ch 12. The potential energy $V$ of NaCl can be described emperically by $$V = \frac{-e^2}{4\pi\epsilon_0 ...
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1answer
325 views

Donors/Acceptors in Metal Oxides

Can anyone explain to me why most articles describe chromium as an acceptor in titanium dioxide? In TiO2, titanium has the charge state Ti$^{4+}$ and oxygen has the charge state O$^{2-}$. When Cr ...
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0answers
23 views

What is the work-function of a monolayer metal on a substrate with charge redistribution at the interface?

The work-function on subsrate/metal with nm thick (or above) metal layer generally reveal the intrinsic work-funtion of bulk metal. But what if there is a monolayer thick metal, and there is charge ...
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0answers
42 views

Why is the water diamagnetic?

I checked using my permanent magnet that water is diamagnetic. But why is it like that? Does this have any important consequence for life?
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1answer
39 views

Whats the maximum number of electrons that can fit into the outer shell of boron?

Whats the maximum number of electrons that can fit into the outer shell of boron? Like silicon has 4 electrons in the outer shell but the maximum it can hold is 8 electrons so whats the maximum number ...
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1answer
91 views

Does O$^{2-}$ really exist?

In chemistry it is common sense that we have O$^{2-}$. But from a physical point of view, does O$^{2-}$ really exist as a negative ion? I mean, as an isolated ion. It is not apparent that a neutral ...
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2answers
865 views

How is the number of electrons in an atom found?

I was wondering, what type of experiments were held to identify the number of electrons in an atom? (For example, how do we say that carbon has 6 electrons and magnesium 12.) I would like someone to ...
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1answer
30 views

Reaction Energy

Is the energy involved in exothermic and endothermic chemical reactions positive, negative, neutral, or something else? As in, what does it affect/come from (neutrons, protons, electrons)? Does it ...
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1answer
52 views

Have scientists always known that the Sun was not a fuel+air system?

Astronomy is far older than nuclear physics. So there was a long time in which fire was a reasonable explanation for the sun burning. Has any scientist figured out the sun cannot possibly be a normal ...
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5answers
6k views

Why does burning magnesium explode when sprinkled with water?

Magnesium powder burns extremely well and reaches temperatures of 2500°C. However, attempts to extinguish such a magnesium fire with conventional water (e.g. from a garden hose) only make it worse: ...
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1answer
55 views

What happens if a free radical is placed in absolute vacuum?

I'd like to know what happens if a free radical has no material around to interact with. I have asked many people but I am not satisfied with their answer. I know there is nothing like absolute ...
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1answer
44 views

Chemical reaction A+B$\leftrightarrow$C. Equilibrium VS Non Equilibrium

Could you please confirm or say why I am wrong? Let us consider the steady state of the chemical reaction $A+B \leftrightarrow^{k_+}_{k_-} C$, with $k_+$ and $k_-$ the forward and backward rates. ...
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0answers
27 views

Given the Pair Correlation Functions for a Multi-component Fluid, is There a Simple Way to Obtain the Helmholtz Free Energy?

I think it may not be possible. Given all the pair correlation functions (e.g. calculated from Ornstein Zernike theory), it seems possible to obtain the internal energy (assuming different species ...
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6answers
3k views

Where should a physicist go to learn chemistry?

I took an introductory chemistry course long ago, but the rules seemed arbitrary, and I've forgotten most of what I learned. Now that I have an undergraduate education in physics, I should be able to ...
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1answer
52 views

Is Boltzmann constant $k_B$ constant?

I heard in a lecture that Boltzmann constant $k_B$ is not constant in some special cases. Do you know the title of the article which contains this one? Do you think this idea is true?
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4answers
67k views

Why do grapes in a microwave oven produce plasma?

Some of you may know this experience (Grape + Microwave oven = Plasma video link): take a grape that you almost split in two parts, letting just a tiny piece of skin making a link between each ...
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1answer
57 views

Why does the rate of melting of an ice block vary in different methods?

I saw that an ice block melts faster when it is placed in a microwave rather than when it is exposed to flame. Could it be because the flame creates a layer of water vapor between the flame and ice? ...
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1answer
1k views

Why does NaCl (aq) conduct electricity but NaCl (s) does not?

Why does sodium choloride in its solid state not conduct electricity, but in its aqueous solution state it conducts electricity easily?
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2answers
721 views

Gas viscosity at high pressure, high temperature

EDIT 1 PER COMMENTS I am wanting to model nitrogen gas viscosity as a function of pressure and temperature OR learn of an existing equation that models nitrogen viscosity for the pressure and ...
17
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4answers
3k views

Boiling water and salt

I would like to have a good understanding of what is happening when you add salt to boiling water. My understanding is that the boiling point will be higher, thus lengthening the process (obtaining ...
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0answers
47 views

Bandwidth-Pulse Duration Relationship

Assuming Gaussian pulse, the relationship between pulse duration and bandwidth is given by: $$\Delta \nu \cdot \tau \geq 0.441$$ If the rms bandwidth and rms pulse duration are used, then the ...
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3answers
84 views
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1answer
44 views

What's the relation between molecular orbitals and electron density?

The way molecular orbitals are drawn represent the "encapsulated" space in which the wave function has a significant amplitude. How do I obtain from this the electron density? Is there a fundamental ...
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50 views

Isothermal Expansion in Real Gases

I understand that for a ideal gas in the case of reversible isothermal expansion, $\Delta U=0$ and $-Q=W$ but in case of a real or van der Waal gases, how can I find $Q$, $\Delta U$ and $\Delta S$?