All Questions
Tagged with theoretical-chemistry thermodynamics
27
questions
4
votes
1
answer
208
views
Plasma creation and condensation
Every chemical has a decomposition temperature. My understanding is that above that temperature molecular bonds are broken. And if we raise the heat high enough then all molecular bonds will break ...
- 3,340
18
votes
1
answer
732
views
What is the relation between surface tension and initial molecular harmonic?
Initial harmonic is measured as Hartree/Bohr^2 ( like IHarmonic=n in Gaussian Software ). As I am from physics background I am used to look at features from their dimension point of view:
Actually ...
- 2,141
2
votes
2
answers
947
views
Does the third law of thermodynamics apply to all compounds and elements?
According to wikipedia, the third law of thermodynamics is "The entropy of a perfect crystal, at absolute zero (zero kelvins), is exactly equal to zero.".
Then, theoretically, could all substances, ...
- 1,411
16
votes
1
answer
13k
views
Why is there sulfur in black powder / gun powder?
Black powder is composed of charcoal, sulfur and a nitrate salt. The charcoal and sulfur serve as fuel and the nitrate is the oxidizing agent.
However, wouldn't it be cheaper to leave out the sulfur, ...
- 10.9k
12
votes
1
answer
3k
views
How to make approximation of rotational partition function of diatomic linear molecules?
Using the rigid rotor approximation to the level energies, and such other appropriate assumptions, we can approximate rotational partition function, $Q_{\mathrm{rot}}$, of linear molecules as follows:
...
- 181
8
votes
1
answer
2k
views
Why is N₂ stable but HCN and C₂H₂ unstable?
Compounds with triple bonds generally seem to be unstable. $\ce{HCN}$ and $\ce{C2H2}$ are high-energy, relatively short-lived molecules that will readily polymerise or react with other organic ...
- 1,661
4
votes
1
answer
998
views
How to estimate the dielectric constant of a liquid?
Are there any approximate relationships between the (static) dielectric constant of a liquid and properties of the individual molecules?
For example, suppose I know the polarizability and dipole ...
- 917
2
votes
1
answer
82
views
Polymers with no molecular mass distribution?
What sort of ideal conditions are required - theoretically - to conduct polymerization reactions to make all the macromolecules end up with exactly the same molecular mass, just like the products in ...
- 517
114
votes
1
answer
6k
views
Is there a general consensus on the causes of the alpha-effect?
There have been various explanations posited for the α-effect. The α-effect refers to a phenomenon wherein nucleophiles with lone pairs on atoms adjacent (i.e., in the α- position) to the atom bearing ...
- 11.9k
3
votes
1
answer
2k
views
Electrode potentials at interfaces?
My questions relates to the fundamental concept of electrochemistry, more specifically the electrode potentials.
1) First, why is there a potential difference at the interface of two phases? ...
- 6,795
6
votes
2
answers
814
views
Measuring Thermodynamic Stability
We can predict whether a reaction can occur spontaneously by calculating the change in Gibbs' free energy.
I was just wondering whether there is any general measure of the thermodynamic stability of ...
- 2,135
3
votes
1
answer
577
views
Influence of solubility on the complexation constants at different pH values
Given some small chemical compounds whose solubility varies with pH, and in the case of compounds that can form complexes, I have seen that the complexation constant varies with pH.
I think there ...
- 285