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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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 ...
2
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4answers
385 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 ...
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3answers
83 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?
2
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1answer
169 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 ...
2
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2answers
110 views

Is there anyway to use a scientific instrument to measure the density of electron around the atomic orbital?

Is there anyway to use a scientific instrument to measure the density of electron around the atomic orbital? Please list both old way and more modern ways.
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2answers
143 views

Can a liquid shrink as something is dissolved into it?

Not much more to add. By shrink, I mean become more dense at the same pressure and temperature. And I don't mean vol(A+B) < vol(A) + vol(B). I'm sure this is possible. Is it possible to ...
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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 ...
2
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1answer
342 views

How much water is destroyed in photosynthesis, relative to the world's supply?

Water is involved in the photosynthesis. How much water are we talking about compared with the total amount on water on Earth? Is it enough to have an effect on the average age of water molecules?
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4answers
2k 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 ...
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3answers
511 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 ...
2
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2answers
219 views

Is every material able to exist in every state of matter?

I was shocked while reading Kittel's "Introduction to Solid State Physics", that the solid state of noble gases is a well described and makes one of the fundamental achievements of solid state ...
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2answers
4k views

What is the approximate electrical conductivity $\sigma$ of graphene in S/m or S/cm?

I am trying to find an approximate value of the electrical conductivity $\sigma$ of graphene in units of S/m or S/cm. This table on Wikipedia gives $\sigma$ values for a variety of materials ...
2
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1answer
200 views

THT (Tetrahydrothiophene) absorption spectrum

I am looking for the absorption spectrum of THT. What is the best way to find these types of exotic material's spectral characteristics?
2
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1answer
237 views

Are valence electrons located solely in the s and p subshells?

Or are they in all subshells??
2
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1answer
111 views

Does salt $NaCl$ as a solid float in molten salt?

I know ice floats in water because it's crystalline structure causes $H_20$ solid to be less dense than $H_20$ liquid. Is the same true for salt because it is crystalline? If not why?
2
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1answer
292 views

Man on treadmill and energy/mass conservation

Suppose we put a very obese man inside a large air tight isolated room with a treadmill and he runs on the treadmill for 24 hours and at the end of the day he sees his weight has come down (mostly ...
2
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1answer
178 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 ...
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4answers
212 views

role of entropy in gibbs free energy intuition

I have looked at various derivations of the Gibbs free energy equation and the underlying definition of the gibbs free energy. However I have been unable to attain direct insight/intuition over the ...
2
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1answer
102 views

Apparent color of flame as superposition of spectral lines?

In some cases one can identify a substance by the color emitted as it burns in a flame. A green flame might indicate the presence of copper. So here is the question. If we know wavelength and ...
2
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2answers
79 views

How do you know which atoms are in a specific piece of matter?

If you have a piece of matter in front of you, how can you know of which atoms it consists? And starting from nothing, how can I discover all the elements (or just a lot of them) of the periodic ...
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2answers
301 views

What force creates ions out of neutral atoms?

Consider the reaction between Na and Cl to form NaCl. Na loses an electron and "gives" it to Cl because this makes both atoms more stable. But what forces "pulls" the electron from Na to Cl? Both ...
2
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1answer
83 views

Change of heat capacity fluid when you add solvent

I am considering a liquid for which I know $C_p$ or $C_v$. I am wondering how this changes when you add a (minor) amount of solvent to the liquid. Is there a general theory around describing how a ...
2
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1answer
285 views

Electric dipole transitions/expectation value of position

Part of a homework question asks to show that for $\ell=0$ in both $\Psi_i$ and $\Psi_f$, we have $$ \int \Psi_i^\ast \vec{r} \Psi_f \; d\tau = 0 $$ for the position vector $\vec{r}$. (This is for ...
2
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1answer
580 views

How specifically do emulsifiers work?

I'd like to understand better how emulsifiers prevent droplet coalescence. There must be something more they do than just lower the surface tension between the droplet and the ambient substance. I ...
2
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1answer
207 views

Is it possible to mechanically isomerize an sp3 hybridized carbon center?

Imagine I have an sp3 hybridized carbon attached to four separate polyethylene chains. By pulling on the polyethylene chains in some manner, is it possible for me to mechanically isomerize the chiral ...
2
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3answers
3k views

Air Regeneration in Closed Systems

I wonder what's the way to regenerate O2 in air without using consumable chemicals (where one can use electricity through electrolisis or using UV lamps)? We can dissolve water into O2 & H2, but ...
2
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1answer
38 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 ...
2
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1answer
72 views

Would other intelligent life in the Universe be likely to construct the same periodic table of the elements? [closed]

Is the structure of the periodic table fundamental enough that other forms of intelligent life would likely structure their own listing of the elements in the same way (i.e. are there other ways of ...
2
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1answer
776 views

Particle in a 1D Box with Symmetric potential: How find solutions?

I am working on a problem in which I shall find the normalised solution to the 1D particle in a box. Solving for the particle in an asymmetric potential is quite straight forward, but I run into ...
2
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1answer
148 views

Why is a wine glass shaped the way it is? [closed]

Why is a wine glass shaped the way it is? And why are there different shapes for different wines? Is this a tradition, or is there any scientific reason behind it?
2
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1answer
378 views

Absorption of a gas into a solid

When a gas interacts with a (crystalline) solid, some scenarios may happen: scattering: gas atoms will not stick or penetrate (do not interact with the solid) Adsorption: gas atoms stick to the ...
2
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2answers
231 views

Temperature of thermochemical reaction between propane and nitrous oxide

I'm trying to calculate the properties of the combustion process using propane and nitrous oxide. When I tried to nail down the combustion temperature, the result looks just off to me. I went through ...
2
votes
1answer
87 views

Why does bringing N 1-orbital atoms together yield N levels?

A common example of this is that when bringing N hydrogen atoms together into a ring. Far apart, assume each electron exists in the 1s state. As we bring them together, instead of each electron ...
2
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1answer
116 views

What are the state functions telling me or how are they related to total energy?

I am quite new to thermodynamics and statistical mechanics so this might be an easy question: In thermodynamics you get a bunch of thermodynamics potentials, so as for example enthalpy, internal ...
2
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1answer
390 views

Reason behind cohesive and adhesive force

What is the real cause behind the cohesive and adhesive forces?
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2answers
122 views

Driving a solution of optical isomer molecules with the resonant frequency

What happens when we drive a solution of optical isomer molecules (enantiomers) with a microwave radiation in resonance with the tunneling frequency of the molecules (the frequency of the transition ...
2
votes
1answer
275 views

Vapor pressure higher than equilibrium vapor pressure

Is there any mechanism by which the vapor pressure of a liquid substance (lets say in a vacuum) is measured to be greater than the expected saturated vapor pressure at that temperature? Specifically, ...
2
votes
1answer
402 views

Equations describing the liquifaction of gases

I would like to find out how much energy is required to liquify gases (oxygen or nitrogen, for example). What are some relevant equations? I'm curious whether creating small quantities of dry ice or ...
2
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1answer
799 views

What is the mechanism of dielectric saturation?

It is known from experiments that the dielectric constant of a solvent might decrease in regions where there is a strong electric field, for example, near a highly charged ion in an infinitely dilute ...
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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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0answers
43 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 ...
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0answers
33 views

Electrochemical cell potential - Prigogine book

I'm trying to understand equation 10.2.14 from Prigogine book "Moder thermodynamics": $V=\frac{\tilde{A}}{nF}=\frac{1}{nF}\left(\mu_X^R+\mu_Y^L-\mu_{Xred}^R-\mu_{Yox}^L\right) - \left( \phi^R-\phi^L ...
2
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0answers
103 views

High Young's Modulus and Tensile Strength of Carbon Nanotubes

I was recently reading about Carbon Nanotubes having extremely high Young's moduli, as well as high Tensile Strength, making them very interesting fibers. However, when I read this I wondered what was ...
2
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0answers
62 views

generation / destruction of fermions by phonons

my Hamiltonian consists of 1D free fermions coupled to a bosonic bath. The interaction is dictated both by scattering terms $H^{scatt}=\sum_{kq}\alpha^S_{kq}c^\dagger_kc_{k+q}X_q+h.c.$ as well as ...
2
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0answers
89 views

Are metal modes mixed with molecular modes during surface enhanced Raman effect?

This question is dedicated to Martin Fleischmann (1927-2012). When a molecule is adsorbed on a metal surface, the Raman scattering amplitude from the molecule is enhanced. According to Wikipedia, the ...
2
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0answers
171 views

Dissipation when the temperature is not constant

Consider a process where some chemical species diffuses from one part of a system (which I'll call $A$) to another ($B$) at a rate $r$ $\text{mol}\cdot \mathrm s^{-1}$. If the system's temperature is ...
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3answers
186 views

Solving the simplest coupled nonlinear ODES for chemical kinetics [closed]

I am just trying to get the integrated form for the kinetics of the reaction $A + B \rightarrow C + D$ characterized by: $$ -\dfrac{d[A]}{dt} = -\dfrac{d[B]}{dt} = k[A][B] \; . $$ As you note, ...
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vote
5answers
411 views

What laws (formulas) govern forces between atoms?

What laws (formulas) govern the fundamental forces of nature? For example, gravity is governed by the inverse-square law. I am thinking about how particles attract each other, but also repel. All ...
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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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2answers
98 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 ...