STRUCTURAL STUDY OF LIQUID METHYLENE-CHLORIDE WITH REVERSE MONTE-CARLO SIMULATION

Reverse Monte Carlo simulation of liquid methylene chloride has been p erformed using five independent experimental datasets. The structure o f the liquid has been analyzed in detail. Predictions for various tota l and partial structure factors of liquid methylene chloride has been made on the basis of the simulated configurations. Partial pair correl ation functions, orientational correlations, and spatial distributions of the nearest neighbors have been analyzed. It is found that the nea rest neighbors can be localized in three different positions around th e central molecule. Preferences for both parallel and antiparallel ori entations were found among these neighbors. The range of the orientati onal correlations between the molecules was found to be rather large, extending even to the second coordination shell of the molecules. (C) 1997 American Institute of Physics.