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

learn more… | top users | synonyms (2)

0
votes
0answers
27 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 ...
23
votes
3answers
48k 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 ...
0
votes
1answer
73 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\\ ...
0
votes
1answer
119 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 ...
2
votes
3answers
71 views
0
votes
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
votes
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
votes
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 ...
0
votes
1answer
88 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 ...
4
votes
1answer
4k 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.
7
votes
3answers
1k 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 ...
6
votes
1answer
312 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 ...
3
votes
1answer
371 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
votes
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 ...
1
vote
0answers
135 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 ...
0
votes
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.
3
votes
1answer
71 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 ...
4
votes
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 ...
3
votes
1answer
75 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 ...
3
votes
1answer
119 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 ...
1
vote
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 ...
-1
votes
1answer
27 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 ...
4
votes
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 $j$ ...
1
vote
3answers
305 views

Melting and Boiling Points of Odd Materials

In Chemistry, I was taught that there are three main states of matter: solid, liquid, and gas, and that heat and pressure determine that state. For some substances, the line is blurry between them. ...
8
votes
3answers
2k views

How are the calories in food calculated?

This is intended to be a fun question. Calorimetry used for calculating the heat generated from chemical changes has been around for centuries, however, I suspect the process for calculating food ...
4
votes
3answers
147 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
votes
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?
0
votes
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. ...
4
votes
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
votes
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
73 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
vote
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
vote
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
votes
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 ...
9
votes
4answers
12k views

Why does ice have a lower density than water?

Can someone explain me why is ice lighter than water? As I know, all solids are usually heavier than the liquids (correct me if I am wrong).
22
votes
4answers
2k views

Could the Periodic Table have been done using group theory?

These three questions are phrased as alternative-history questions, but my real intent is to understand better how well different modeling approaches fit the phenomena they are used to describe; see 1 ...
3
votes
3answers
293 views

Kinetic proof of law of mass action

Suppose we have a chemical reaction of the form $$n_1 A_1 + \cdots + n_r A_r \leftrightarrow m_1 B_1 + \cdots + m_s B_s$$ where $A_i$ and $B_i$ are molecules, and the $n_i$ and $m_i$ are the integer ...
5
votes
4answers
7k views

is it possible to flow current in open circuit?

First , i don't know much about chemistry and physics. I'm just a graphic designer but i have this question in my mind. I'm sorry if this question is too basic and use 'generic' language. As i know ...
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
votes
1answer
34 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
votes
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
vote
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
votes
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
vote
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 ...
7
votes
1answer
83 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
vote
4answers
5k 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: ...
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
1answer
88 views

Why does intramolecular hydrogen bonding cause molecules to separate?

Today I learned about intramolecular hydrogen bonding, which occurs in molecules such as ortho-nitro-phenol. What I was told is that, in case of intramolecular bonding, the molecules separate from ...