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Unanswered Questions

599 questions with no upvoted or accepted answers
10 votes
0 answers
109 views

Which potentials are suitable for molecular dynamics simulation of simple explicit solvents?

Which potentials (force fields) are suitable for adequately simulating (mixtures of) explicit solvents? Interesting rheological properties include viscosity, surface tension, heat capacity.
9 votes
0 answers
622 views

Cobalt Chloride in various solvent/water mixtures - tested

In a recent post the solvatochromic behaviour of cobalt chloride in acetone was discussed. There were some ideas how the acetone might influence the ratio between the blue $\ce{[CoCl4]^2-}$ and the ...
7 votes
0 answers
178 views

Mathematical models of oscillatory chemical reactions

I am a mathematician working on real-life models in ordinary differential equations. I want to know if there are any models of oscillatory chemical reactions that consist of three ordinary ...
6 votes
0 answers
209 views

Are all humectants sticky?

While using a topical lotion based on ethanol, water and propylene glycol, I noticed that it becomes sticky while drying. Propylene glycol is a humectant and is used for this purpose in ...
6 votes
0 answers
164 views

Why is supersaturated sodium acetate so (meta)stable?

Sodium acetate is a common example used in general chemistry lectures to illustrate the idea of supersaturation, and that precipitation of a supersaturated solution can be initiated by a seed crystal. ...
6 votes
0 answers
216 views

Approximating entropy change in a reaction using Arrhenius equation

Recently my teacher finished teaching the chapter Chemical kinetics in which I have gone through Arrhenius equation.Can we estimate the change in entropy using it? I have done my calculation, ...
6 votes
1 answer
197 views

Understanding elementary rate laws from a probability stand point

I am learning about chemical kinetics and dynamics and as I understand for a general chemical reaction $$\ce{aA + bB -> cC + dD} $$ whose reaction rate, r, can be described by an elementary rate ...
6 votes
0 answers
919 views

Reaction rate constants for methane combustion

I can't find a rate constant or activation energy for the methane combustion reaction given by: $$\ce{ CH4 + 2O2 -> CO2 + 2H2O}$$ Do all reactions have a rate constant? The NIST web site lists ...
6 votes
0 answers
775 views

How can copper(II) sulfate crystallize outside a glass vial?

I'm making copper sulfate crystals in glasses. Within a few weeks, the copper sulfate seems to crystallize both inside and outside the glass: (A few weeks after making a new solution) (Yet another ...
6 votes
0 answers
2k views

Finding theoretical mechanism of sodium thiosulphate and hydrochloric acid

In class we conducted an experiment where we timed reactions between sodium thiosulphate and hydrochloric acid. We kept the concentration of the $\ce{HCl}$ constant, while changing the concentrations ...
6 votes
0 answers
154 views

Dissolving ability of octane vs nonane on neoprene

I have been working with straight chain octane and nonane. The neoprene seals in some parts of the apparatus are allegedly far more vulnerable to the deleterious effects of octane than nonane - why? [...
6 votes
0 answers
1k views

How to dissolve a strong resin in difficult situation?

The resin is made up from two components: Component A: silicic acid, sodium salt (less than 10% sodium silicate) Component B: Diphenylmethane-4,4'-Diisocyanate, isomers and homologs (MDI,Polymer-MDI)...
6 votes
0 answers
493 views

Is there a bifurcation node in the potential energy as a function of reaction progress equation of chemical reactions?

I originally posted a similar question on math.stackexchange.com, but I believe I might have a better chance of having my question answered here after giving it some time. I was thinking about the ...
5 votes
0 answers
608 views

Explanation of the trans-effect (thermodynamic and kinetic) for octahedral transition metal complexes

The thermodynamic trans effect refers to the ground state weakening of the metal-ligand bond in a complex by a ligand trans to it. The kinetic trans effect is the lablisation of a ligand in a complex ...
5 votes
0 answers
187 views

What pH value of 1M sodium crotonate solution supposed to be?

I need to prepare the $\pu{1M}$ solution of sodium crotonate, however, I don't have one in lab, but I do have sodium hydroxide and crotonic acid. Thus, I calculated that for $\pu{100 mL}$ of $\pu{1M}$ ...

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