Skip to main content

All Questions

Filter by
Sorted by
Tagged with
1 vote
0 answers
51 views

Air/Acetonitrile Interfaces

Say I drop some acetonitrile on a grounded surface and it forms a meniscus. The acetonitrile is in air. Lets forget about evaporation for the moment. Will there be an interfacial dipole formed by the ...
Tomi's user avatar
  • 648
4 votes
1 answer
74 views

Is it possible to have an anhydrous solvent for virology, specifically in vitro phage assembly?

Typical protocols for lambda phage in vitro assembly call for you to dump all your viral components and buffer solutions into water. Water is a great solvent, drives extraction of energy from atp, and ...
edmund shelto's user avatar
6 votes
0 answers
228 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 ...
MWB's user avatar
  • 519
2 votes
0 answers
64 views

How to model a molecule of benzene surrounded by 100 molecules of water with molecular dynamics?

I have experience calculating molecular properties (mostly DFT). However, I would like to spend some time on molecular dynamics methods. I would like to ask your advice to direct me towards a program ...
user avatar
1 vote
0 answers
1k views

Solubility of alcohols in non-polar solvents

The solubility of an alcohol in a non-polar solvent (like hexane) increases with size of the alcohol, as the non-polar chain increases. However, as the chain keeps increasing, will the solubility ...
tt123's user avatar
  • 51
10 votes
0 answers
112 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.
Sparkler's user avatar
  • 4,285
34 votes
2 answers
112k views

How do non-polar substances dissolve in non-polar solvents?

The case of polar solvents is clear to me - we get an attraction between opposite charges. However, how do non-polar substances dissolve in non-polar solvents? How could it be explained on a molecular ...
Stanpol's user avatar
  • 691