Abstract: Energetic and structural results for ethanol-water mixtures as a function of the mole fraction were calculated using Monte Carlo methodology. Energy partitioning results obtained for equimolar water-ethanol mixture and ether organic liquids are compared. It has been shown that at xet=0.22 the RDFs for waterethanol and ethanol-ethanol interactions indicated strong hydrophobic interactions between ethanol molecules and the local structure of solution is less structured at this concentration as at ether ones. Results obtained for ethanol-water mixture as a function of concentration are in good agreement with the experimental data.
Abstract: In high powered dense wavelength division
multiplexed (WDM) systems with low chromatic dispersion,
four-wave mixing (FWM) can prove to be a major source of noise.
The MultiCanonical Monte Carlo Method (MCMC) and the Split
Step Fourier Method (SSFM) are combined to accurately evaluate the
probability density function of the decision variable of a receiver,
limited by FWM. The combination of the two methods leads to more
accurate results, and offers the possibility of adding other optical
noises such as the Amplified Spontaneous Emission (ASE) noise.
Abstract: A structural study of an aqueous electrolyte whose
experimental results are available. It is a solution of LiCl-6H2O type
at glassy state (120K) contrasted with pure water at room temperature
by means of Partial Distribution Functions (PDF) issue from neutron
scattering technique. Based on these partial functions, the Reverse
Monte Carlo method (RMC) computes radial and angular correlation
functions which allow exploring a number of structural features of
the system. The obtained curves include some artifacts. To remedy
this, we propose to introduce a screened potential as an additional
constraint. Obtained results show a good matching between
experimental and computed functions and a significant improvement
in PDFs curves with potential constraint. It suggests an efficient fit of
pair distribution functions curves.