Clustering and Micro-immiscibility in Alcohol-Water Mixtures: Evidence from Molecular Dynamics Simulations

Details Clustering and Micro-immiscibility in Alcohol-Water Mixtures: Evidence from Molecular Dynamics Simulations Clustering and Micro-immiscibility in Alcohol-Water Mixtures: Evidence from Molecular Dynamics Simulations

2004-04-16

arxiv.org/abs/cond-mat/0404380v1

Physics

Condensed Matter

Soft Condensed Matter

5 pages, 4 figures

Scientific paper

10.1103/PhysRevB.71.024201

We have investigated the hydrogen-bonded structures in liquid methanol and a 7:3 mole fraction aqueous solution using classical Molecular Dynamics simulations at 298K and ambient pressure. We find that, in contrast to recent predictions from X-ray emission studies, the hydrogen-bonded structure in liquid methanol is dominated by chain and small ring structures. In the methanol-rich solution, we find evidence of micro-immiscibility, supporting recent conclusions derived from neutron diffraction data.

Affiliated with

Also associated with

No associations

Rating

Clustering and Micro-immiscibility in Alcohol-Water Mixtures: Evidence from Molecular Dynamics Simulations does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.

If you have personal experience with Clustering and Micro-immiscibility in Alcohol-Water Mixtures: Evidence from Molecular Dynamics Simulations, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Clustering and Micro-immiscibility in Alcohol-Water Mixtures: Evidence from Molecular Dynamics Simulations will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-400008