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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279 views

Carbon in the form of graphite a conductor?

Well, it happens a I have a glucose test strip (One Touch Ultra) which has three electrodes (Counter, Working and Reference) and I'm guessing this electrodes are made from graphite mixed with a ...
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1answer
269 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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1answer
42 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 ...
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1answer
81 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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1answer
45 views

Chemical effect on gravitation?

We know, that gravitation field of charged black hole is different than one of uncharged. I this true only for objects with singularity or is true for all objects? If true, then may we say, that ...
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1answer
36 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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28 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. ...
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64 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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204 views

What is the most stable nuclide of an isobar?

From the semi-empirical mass formula, the mass of an atomic nucleus is $$M\left(A,Z\right)=Zm_p+(A-Z)m_n-\frac{E_b(A,Z)}{c^2}$$ I've been told (at first) that for a given mass number $A$, the most ...
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65 views

What is a covalent bond?

What is a covalent bond, quantum mechanically? How does it hold the two atoms together, and at one point can you qualify the electron as being shated between two atoms, versus feeling attractive ...
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23 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 ...
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64 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 ...
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58 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 ...
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0answers
78 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 ...
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0answers
148 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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45 views

Solar still and how it works

I use a solar still that holds 182 cubic feet of water. Here is how it works: There is an insulator on both sides of the metal bowl. On the outside it covers the whole thing. on the inside it covers ...
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19 views

How does Passivation in Mercury-arc-valve cause “diode” behavior

Does passivation of lead anodes cause them to become semiconductors? Or even become diodes (eg. a p-n passage)? How does this work on an atomar level? This question has been risen by trying to ...
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28 views

Covalent Bonds, Varities and Limits!

Related:http://chemistry.stackexchange.com/q/9459/ I was wondering, covalent bonds tend to share two electrons, apparently rarely more than three, and normally between two electrons. Can someone give ...
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51 views

Debye Hückel Theory valid for ions?

I am wondering about the following: Is Debye Hückel Theory only used if you look at how an external "strong" field(like a potential by a sphere that has a charge that is 1000times higher than the ...
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109 views

Leakage rate Calculation

I have to calculate leak rate for helium/air from an enclosure which is made of fabric. This is similar to helium balloons. There are small holes in the fabric. How should i proceed ?
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24 views

Solution of multiple materials

Introduction I'm trying to make some strawberry liqueur. The recipe I got says I should put alcohol, strawberries and sugar in a bowl and leave it soaking for 4-5 weeks. I read that making liqueur is ...
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46 views

Saddle point and transition state of a molecule

During a transition of a molecule from one state to another, it pass through a transition state. This transition state, mathematically speaking, is a saddle point. That means, the second derivative ...
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22 views

Specific Gravity vs. Pore Space in Chromatography Column

Wondering if we can apply molecular specific gravity to elucidate average time required to pass through a column given porespace, distance and viscosity? This would eliminate the need for special ...
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82 views

Calculating molal depression constant from latent heat of fusion

Calculate molal depression constant of water if latent heat of fusion of ice at $0^\circ \text C$ is $80 \text{ cal/g}$. All I could find was the equation $K_f=\frac{0.002T^2}{L_f(\text{in ...
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58 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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64 views

What is the physical property of metal nanoparticles?

I am a Math student but now I have to deal with gold nanoparticles in aqueous solution. Now I was wondering whether the physical properties of gold nanoparticles are the same as the properties of gold ...
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25 views

VO2 is a 3D^1 compount. What does this mean?

I'm reading a paper about VO2 and it says that it is a 3D*1* compound. What does this mean? I know of 3D*1* in the context of electron configuration of an atom, however V would be 3D*3*.