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)

7
votes
1answer
126 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 ...
3
votes
1answer
170 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
votes
1answer
42 views

How to compute this change of Gibbs energy for a Van der Waals gas?

The change of Gibbs energy at constant temperature and species numbers, $\Delta G$, is given by an integral $\int_{p_1}^{p_2}V\,{\mathrm d}p$. For the ideal gas law $$p\,V=n\,RT,$$ this comes down to ...
1
vote
1answer
118 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
0answers
54 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 $j$ ...
3
votes
0answers
91 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 ...
2
votes
0answers
26 views

The underlying chemical interactions behind torque

I did some searching around, and didn't find any previous topics that address torque in this specific way -- here goes: Say I just have a plain ol' piece of wood -- relatively long in one axis, so it ...
2
votes
0answers
36 views

Why is the activation energy of combustion so large compared with regular bonding?

I wanted to know why combustion requires an activation energy and I found this article (see this too). It says that molecular oxygen ground state is a triplet state (according to Hund's rules), and ...
2
votes
0answers
46 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?
2
votes
0answers
47 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
0answers
37 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
votes
0answers
115 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
votes
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
votes
0answers
91 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
votes
0answers
178 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 ...
1
vote
0answers
32 views

How does fluid velocity affect the dissolution of some solute in the fluid?

Suppose we have a perfect sphere of some solute such as sugar and we place it in a fluid such as water, at a certain temperature, that is not moving. It will dissolve and diffuse into the water due to ...
1
vote
0answers
38 views

What factors are influencing a woosh rocket?

Not sure if this is too much chemistry, but I'll try: If I fill a plastic bottle with a small amount of rubbing alcohol, shake it around and hold a match to the bottle neck, I'll get a flame wooshing ...
1
vote
0answers
28 views

Given the Pair Correlation Functions for a Multi-component Fluid, is There a Simple Way to Obtain the Helmholtz Free Energy?

I think it may not be possible. Given all the pair correlation functions (e.g. calculated from Ornstein Zernike theory), it seems possible to obtain the internal energy (assuming different species ...
1
vote
0answers
176 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 ...
1
vote
0answers
19 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 ...
1
vote
0answers
37 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
0answers
53 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 ...
1
vote
0answers
62 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
vote
0answers
141 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, ...
1
vote
0answers
31 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 ...
1
vote
0answers
92 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 ...
1
vote
0answers
153 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 ?
1
vote
0answers
25 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 ...
1
vote
0answers
49 views
0
votes
0answers
27 views

Difficulty in understanding Maxwell Boltzmann distribution in case on ions in a field

I learned that the velocity of molecules obey Maxwell Boltzmann (MB) distribution at a Temperature T. If I have ions of mass 'M' accelerated to 2eV in a specific region. As the ions are not ...
0
votes
0answers
12 views

Why does carbon help with electron transfer in a dye sensitized solar cell?

what property of carbon(soot) makes it easier for electron transfer within a dye sensitized solar cell?
0
votes
0answers
35 views

Visible wavelengths of air fluorescence data - needed for school demo laser telephone design

I'm seeking information about fluorescence in visible wavelengths (390-700nm) of any of the main constituents of air ( $ N_2, O_2, CO_2, H_2O, CO, etc. $) that can be excited with a (hopefully ...
0
votes
0answers
25 views

Heat Retention of Wine

This may seem odd and lengthy but I am going to attempt to consolidate my thoughts as much as possible. I'm sorry in advance for the length of my post and if this is confusing. I am currently ...
0
votes
0answers
26 views

Virial equation - Taylor expansion

I don't get how Taylor expansion over $ \frac{1}{\overline{V}} $ of Virial equation of state is carried: $Z = \frac{P\overline{V}}{RT} $ which yields $$ Z = 1 + \frac{B_{2V}(T)}{\overline{V}} + ...
0
votes
0answers
21 views

Maxwell relations | U goes down pressure?

Differentiating Helmholtz function $ A = U - TS $ with respect to $V$ we get: $$ (\frac{\partial A}{\partial V})_{\scriptscriptstyle T} = (\frac{\partial U}{\partial V})_{\scriptscriptstyle T} ...
0
votes
0answers
37 views

Does a fixed amount of gas have slighty more mass when at a higher temperature?

According to relativity, energy and mass are equivalent. Does this mean that the energy added to a fixed amount of gas when it is heated adds slightly to the mass of the gas? The difference would be ...
0
votes
0answers
38 views

Filling an empty box with ambient air

A rigid box has a volume of $V_1$ and is thermally isolated so that it exchanges no heat with its environment. Initially the box is empty, and the air around it has a pressure of $P_0$ and a ...
0
votes
0answers
29 views

What is the work-function of a monolayer metal on a substrate with charge redistribution at the interface?

The work-function on subsrate/metal with nm thick (or above) metal layer generally reveal the intrinsic work-funtion of bulk metal. But what if there is a monolayer thick metal, and there is charge ...
0
votes
0answers
50 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 ...
0
votes
0answers
66 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
0answers
55 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
votes
0answers
70 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.
0
votes
0answers
39 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
votes
0answers
30 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 ...
0
votes
0answers
21 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 ...
0
votes
0answers
99 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 ...
0
votes
0answers
230 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 ...
0
votes
0answers
49 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 ...
0
votes
0answers
146 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 ...
0
votes
0answers
77 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 ...