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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32 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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1answer
33 views

Differential equation and diffusion of alcohol [closed]

Can somebody explain how is the following differential equation found? It is about the blood alcohol content. See this article, pages 3 and 4: ...
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0answers
18 views

Energy required to electrolyze 1L of water [closed]

What voltage dc current would I need to electrolyze 1 liter of water in 1 hour using 1gram NaOH for a electrolyte
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0answers
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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0answers
14 views

Relating mole fraction to molality [closed]

If the mole fraction of water in a HCl solution is 0.78 . calculate the molality of the solution? I don't understand how to relate mole fraction to molality.
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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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0answers
28 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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0answers
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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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
43 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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1answer
37 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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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
40 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 ...
0
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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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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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5answers
155 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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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
38 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
89 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 ...
10
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2answers
860 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
29 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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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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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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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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1answer
51 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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1answer
56 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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0answers
46 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

Is it possible to reconstruct the wavefunction of a molecule from a collection of spectra?

Spectra of a molecule can be calculated if the wavefunction is known. Is it possible to do the opposite?
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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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0answers
48 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
47 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
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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0answers
53 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
50 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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0answers
173 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 ...
2
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1answer
178 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 ...
0
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1answer
47 views

How does gas pressure increase the lifespan of Halogen tungsten lamps in the Halogen Cycle?

I am curious about this passage "Since quartz is very strong, the gas pressure can be higher,[5] which reduces the rate of evaporation of the filament, permitting it to run a higher temperature (and ...
1
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1answer
84 views

Increase in Solubility of a Gas with an Increase in Temperature

On the UC Davis ChemWiki I read, "some gases have an increase in solubility with an increase in temperature." I understand why this is applicable to solids in liquids such as water, but why is it ...
4
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0answers
53 views

What is the argument for detailed balance in chemistry?

Detailed balance is an important property of many classes of physical systems. It can be written as $$ \frac{p_{i \to j}}{p_{j \to i}} = e^{\frac{\Delta G}{k_B T}},\tag{1} $$ where $i$ and $j$ ...
4
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3answers
340 views

Why does a pitcher with lemon juice have foam, while one with pure water does not?

Whenever I pour water into lemon juice (pouring directly from the tap into the pitcher, not quietly along its edge) I get a foam on top: The same pitcher with water (same water tap, pitcher, time ...
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2answers
18 views

Exothermic heat release mechanism in gases

How is heat released when bond formation occurs in gases? For example, when atomic oxygen and molecular oxygen combine to form ozone?
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3answers
835 views

How much heat from a fire actually warms your home?

A fire in a hearth disperses heat to, I guess, three places: the bricks of the chimney out the hearth (where the person tending the fire is standing) out the chimney, above the house How would you ...
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2answers
66 views

Could we describe acids and bases using electromagnetism?

Why don't we use Maxwell's equations in acids and base theory? Surely the interaction between two charged species is readily described by this. The theory I have so far come across is HASB theory. ...
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0answers
20 views

Better gas mileage going fast or slow [duplicate]

In an automobile, do you get better miles per gallon when going faster or slower? Is this question answerable without more information? If more information is needed, assume the following: ...
0
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1answer
145 views

DFT Calculations, Atomic Ionization Potentials — Which Exchange-Correlation Functional to Use, to Preserve Koopmans' Theorem?

I have a program which can perform density-functional calculations for atoms, given a density functional. Of course the simplest form of exchange potential to use is one relevant for a uniform ...
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1answer
50 views

Should it really be called “valence *sub*shell”?

The Wikipedia article on electron shells states this, which I (a chemical layman) also always assumed: The electrons in the outermost occupied shell (or shells) determine the chemical properties ...