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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Should a polyatomic crystal behave similarly to the bulk of each/either of its constituent elements?

Generally, metals are usually fairly conductive, but their oxides aren't. I know conductivity is just one attribute, but in general, should you expect a, say, diatomic bulk crystal's properties to be ...
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229 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
123 views

Handling halogen lamps

When consulting manuals, electricians, online sources, etc., they always instruct you to handle halogen light bulbs with gloves. The "explanation" that usually accompanies this statement is that oils ...
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1answer
40 views

What is the origin and nature of the “hydrogen envelope” located on the sun side of a comet coma?

It is tempting to assume the origin of the hydrogen is water vapor from the comet, in which case, what process "breaks up" the water molecule (or perhaps ammonia molecule?)? Is the hydrogen actually ...
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1answer
57 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
21 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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46 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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91 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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48 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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55 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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77 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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137 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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41 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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0answers
89 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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23 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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23 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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19 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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72 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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54 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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62 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 ...