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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2
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3answers
71 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?
0
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1answer
25 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 ...
0
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0answers
18 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 $\Delta S$?
0
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1answer
34 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 ...
3
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1answer
369 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?
0
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0answers
42 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 ...
0
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0answers
28 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.
1
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0answers
134 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 ...
4
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1answer
126 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 ...
-1
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1answer
26 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
72 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
36 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
144 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 ...
0
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2answers
12 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?
4
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3answers
681 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 ...
0
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2answers
57 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. ...
0
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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
votes
1answer
72 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 ...
1
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1answer
38 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 ...
1
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2answers
60 views

Why Does Air Hold More Water When the Air is Warmer?

I know that when the temperature of the air rises, the maximum amount of Water it can hold before the water condenses to water droplets increases. But why is this - has it got something to do with ...
0
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0answers
27 views

Like viscoelastic polymers, why there are not storage and loss moduli for cast iron?

Viscoelastic polymers have different paths upon loading and unloading, so there is energy dissipation, so they have storage and loss moduli. Plastic behavior is also shown by cast iron: loading and ...
0
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1answer
33 views

bimolecular reaction master equation

I was wondering how to write down the deterministic rate equation for a bimolecular reaction with similar particles. e.g. $A \rightarrow^{k_+} B +B$ and $B +B \rightarrow^{k_-} A$ now the rate ...
0
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0answers
23 views

What is the minimum bend radius of a square optical fiber on a microfluidic chip interface?

I want to make a microfluidic chip with colorimetry cuvettes with 100um square optical fibers coupled to the side of them. They should bend at a 90 degree angle to exit the side of the chip in a ...
1
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0answers
18 views

Mixing liquids when applying a voltage

I'm thinking in the following experiment: A) Two (non mixable (like water and oil)) liquids are going to lie in a container, in the extremes of the container there are two electrodes, those ...
6
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2answers
412 views

Can we fully simulate molecular physics?

Is our knowledge of physics complete enough to achieve fully natural simulations of molecular interactions in a computer simulation? How far off are we? Reason for question: I wonder how far we are ...
1
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0answers
34 views

problem about heat in thermodynamics

$$\nabla G=-T\nabla S-T\nabla S_{sur}=-Q+q $$ $$\nabla G=-T\nabla S-T\nabla S_{sur}=-(U-W_{rew})+q $$ $$\nabla G=-T\nabla S-T\nabla S_{sur}=-(q+W-W_{rew})+q $$ $$\nabla G=-T\nabla S-T\nabla ...
1
vote
2answers
56 views

How do we represent 'smell' and 'taste' as signals?

I was wondering if we could represent 'smell' and 'taste' as signals like we do for audio. How do we mathematically represent them? Is there any research papers related to it? Can someone give me ...
3
votes
5answers
129 views

Mass and Energy

Would the mass of burnt firewood be equal to the mass of firewood before burning? Then where does that heat come from? According to Einstein's equation, $E=mc^2$ Shouldn't there be some mass going ...
1
vote
1answer
48 views

Boiling is not well described? [duplicate]

It is said that boiling occurs only when the vapour pressure becomes equal to the pressure surrounding the vapour (say atmospheric pressure). Why does it take place only satisfying these conditions ...
1
vote
2answers
57 views

How much entropy is produced in evaporating water due to irreversible evaporation towards equilibrium (humidity=100%)?

$dS=dH/T_{boil}$ for the increase in entropy by changing a phase at saturation ($T=373\text K$ for $p=1\text {atm}$ for water). However, water also obviously evaporates below boiling point when ...
0
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0answers
17 views

Conical intersections - phase

Can anyone explain why at a conical intersection the wavefunction changes sign? My understanding is that it is a test to see if the crossing IS indeed a conical intersection or just a coincidence of ...
1
vote
1answer
360 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 ...
7
votes
1answer
82 views

What would be the first compound formed in the early universe?

This may sound like a chemistry problem, but I suspect this would have lot to do with primordial nucleosynthesis. After all physics underlies everything. It is believed that several elements were ...
1
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0answers
38 views

Solving for the Nernst Potential in 3D

Hi guys I'm totally stuck on the following question: We know the ionic flux between two chambers due to uneven concentration can be computed by the Nernst-Planck equation $$j = -D_p \left(\nabla C ...
2
votes
4answers
367 views

Two soft questions about spin and the particle nature of electrons

How can we define spin as the spin of an electron around it's own axis if an electron is described by a probability cloud of finding an electron in a point in space? How does that probability cloud ...
0
votes
1answer
31 views

(Chemistry) Dimensionless heat transfer coefficient

I'm trying to reproduce in Matlab the model of a continuous stirred tank reactor (CSTR) that I've gotten for a project. The model is written in the state space and uses some dimensionless values, ...
6
votes
1answer
233 views

Steam above meal

When I fry something on the pan and the fire is big and intensive (the flame over the pan), there is no stean above the pan or just a little. But when I turn off the fire, suddenly the steam appears, ...
1
vote
0answers
55 views

Why are atoms with a complete octet the most stable ones? [duplicate]

I mean are the valence electrons in an octet arranged so that they have the lesser amount of energy that is lesser than electrons in other atoms?
2
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0answers
40 views

Approach to model solvent in a lattice: e.g. H2O in NaCl

If a lattice contains a solvent, lets say NaCl and water of crystallisation, what is the condition for a solvent molecule to change it's location? From my current point of view I assume that such a ...
2
votes
4answers
1k views

Bond Angles - H2O vs CO2

H2O has a 109.5 degree bond angle, but CO2 has exactly 180 degrees. Is there a qualitative reason for this? It's hard to believe CO2 is exactly 180 degrees unless there were some symmetry, but the ...
1
vote
0answers
45 views

Linear decrease in temperature during a redox reaction?

This is physics-related, don't worry. To calculate the enthalpy change of a solution during a redox reaction, what we did in class was measure the temperature of the solution every 30 seconds (before, ...
1
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1answer
40 views

Hydrogen extraction efficiency of newish nano particle AA battery

The internet is ablaze with the new nano particle based extraction method of converting water to hydrogen. In 2002/2003 when I was 16 there was a similar craze about a lawn mower motor which ...
1
vote
1answer
48 views

why some elements of same group cannot be used for doping semiconductors?

15th group elements like As, Sb, P can be used for doping whereas N and Bi cannot be used for doping even though they too belong belong to 15th group. Why ?
2
votes
3answers
379 views

Potential energy graphs of chemical systems

I really wish someone could dissect this for me in the language of physics. The system is that of two atoms that approximate each other along 'r' (or distance themselves apart). My concerns are ...
1
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0answers
101 views

Milk-First School

I have always been struck by the huge amount of different arguments about the issue: When you make a cup of tea, the milk should be poured first or added to the cup after the tea? Wikipedia, ...
3
votes
1answer
32 views

Can a Chemical's Opacity be Deduced Mathematically?

all. I have tried Googling but have had no luck. My question is simple (although, I presume the answer is not): If one knows the chemical structure of, well, a chemical, could its optical properties ...
3
votes
1answer
304 views

Why does the thermal conductivity of water decrease with increasing salinity?

Intuitively I would expect the thermal and electric conductivity to be positively related, and since electric conductivity increases with salinity, so should thermal. But according to this table ...
2
votes
1answer
138 views

Conductivity of Aqueous Ionic Solutions as a Function of Time

It is well-known that an aqueous ionic solution can conduct electricity. Let's take the electrolyte NaCl for example. In the diagram below, the circuit consists of a voltage source, a light bulb, and ...
0
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3answers
131 views

Is duplication of nucleus, electron and proton (sub-atomic particles) possible? [closed]

usually a single cell develops into a huge mass to form a substance or an organism. is this happening because of multiplication of sub-atomic particles? if yes, then is it possible to multiply the ...
3
votes
2answers
194 views

Why does smashing a TV remote load its batteries?

Many times I had the same problem: my TV remote's batteries were too weak for it to operate, but then, when I shook the remote a bit and smashed it on my palm, somehow the remote regained its ability. ...