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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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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3answers
666 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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1answer
34 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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1answer
143 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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5answers
143 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
69 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
99 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
35 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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1answer
79 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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2answers
53 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
74 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
35 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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0answers
33 views

What would happen if I mix Salt and Sugar in a cup of water? [migrated]

If I mix water in a cup with sugar at some stage the solution will become saturated and no more sugar will dissolve into the water. If I now add salt to the solution will the salt dissolve into the ...
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0answers
18 views

What causes “stringy” melted cheese (and similar behavior in other materials)? [migrated]

I was wondering about this. What is the physics underlying the "stringy" consistency of melted cheese? That is, when the melted cheese is hot, and it is pulled apart, it forms strings of cheese. This ...
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1answer
318 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
14 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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1answer
86 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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0answers
37 views

Square of velocity = 2 times temperature times specific heat capacity ; seems too tidy [closed]

So I did some algebra and came up with the following $v^2 = 2Tc$ where $ v = $ average velocity of the particles $ T = $ tempreture $ c = $ specific heat capacity but this seems too tidy
3
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1answer
136 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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0answers
38 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
28 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
88 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
816 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
25 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
49 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
53 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
36 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
23 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
50 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
65k 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
48 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
611 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
40 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
82 views
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1answer
39 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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0answers
43 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 $\Delta S$?
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1answer
42 views

How to thermodynamically understand process of burning a piece of coal?

Let's imagine that I have a match in hand and nugget of coal on my desk. Then I light up the match and place it for few seconds near the coal so a tiny piece of nugget catches fire. Then another piece ...
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1answer
6k views

How to know what materials are good conductors of electricity?

I'm not asking a question like "Is the wood conductive?". No. I'm asking what properties do they have to have to be good conductors. Theoretically I mean. Thanks.
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3answers
2k views

What is the quantum mechanical explanation of the octet rule?

What is the quantum mechanical explanation of the octet rule? In other words, what makes the octet rule be true from a quantum mechanical view? How we explain what makes some atoms don't follow the ...
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0answers
51 views

Calculating the heat transfer into CO$_2$ gas at a constant pressure

I am having trouble with a homework question and I am just not sure how to attack it. We have not covered how to deal with non-ideal gases yet, and we are expected to answer this question without that ...
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0answers
159 views

Confusing Chemical potential of mixtures

I feel that there are very few textbook that treat the chemical potential of mixtures in an understandable clear way, which is why I wanted to ask here about certain things? Although I do not have a ...
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0answers
42 views

Why do aromatic rings absorb in UV?

Why do aromatic rings absorb in UV? I think that the whole molecule absorb light which causes transition of an electron to another molecule orbital.
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1answer
157 views

Can ice freeze? [closed]

We know that ice is already the frozen (solid) form of water. The question is more like: Can this frozen form freeze further? Or can it become more solid? (for example, by exposing to colder ...
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1answer
89 views

Why is the objective function used in Nudged Elastic Band method reasonable?

In Nudged Elastic Band (NEB) method, which is used to find reaction pathways when both initial and final states are know, an objective function is first constructed and then minimized to find reaction ...