𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Entropy of association of methane in water: a new molecular dynamics computer simulation

✍ Scribed by Smith, David E.; Zhang, Ling; Haymet, A. D. J.


Book ID
120429369
Publisher
American Chemical Society
Year
1992
Tongue
English
Weight
283 KB
Volume
114
Category
Article
ISSN
0002-7863

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


Computer simulation of the molecular dyn
✍ M.W. Evans; M. Ferrario πŸ“‚ Article πŸ“… 1982 πŸ› Elsevier Science βš– 871 KB

The molecular dynamics of CH2CI 2 in the liquid state have been simulated with two model representations of the intermolecular potential. These consist of a 3 x 3 and 5 x 5 atom-atom simulation with or without fractional charges at the atomic sites. A variety of thermodynamical and spectroscopic r

Molecular dynamics simulation study of a
✍ S. Jalili; M. Akhavan πŸ“‚ Article πŸ“… 2009 πŸ› John Wiley and Sons 🌐 English βš– 524 KB

## Abstract Mixtures of Trifluoroethanol (TFE) and water with different proportions are studied using molecular dynamics simulations. The radial and spatial distribution functions, as well as the size distribution of TFE clusters are obtained from the trajectories. The variation of radial and spati

Molecular Dynamics Simulation of the Ass
✍ E. Spohr; D. Henderson πŸ“‚ Article πŸ“… 2002 πŸ› Elsevier Science 🌐 English βš– 120 KB

We apply molecular dynamics (MD) simulations to the study of the association of nonpolar spheres of effective radii between 1.6 and 6.1 A dissolved in water. The constrained MD method is used to calculate the potential of mean force (PMF) of the interaction between spheres. The depth of the potentia

A box-counting-based algorithm for compu
✍ Luis Lorenzo; Ricardo A. Mosquera πŸ“‚ Article πŸ“… 2003 πŸ› John Wiley and Sons 🌐 English βš– 97 KB

## Abstract A box‐counting‐based algorithm (SEBC) has been developed for the numerical computation of the Shannon entropy from samples of continuous functions. Its performance was tested by applying it to several samples of known continuous distribution functions. The results obtained with SEBC rep