Title of article :
Monte Carlo data of dilute solutions of large spheres in binary hard sphere mixtures
Author/Authors :
Cao، Dapeng نويسنده , , Chan، Kwong-Yu نويسنده , , Henderson، Douglas نويسنده , , Wang، Wenchuan نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2000
Abstract :
Monte Carlo (MC) simulation data for additive binary hard sphere mixtures are reported for dilute concentrations of the large sphere. Using a single occupancy linked cell method, binary hard sphere solutions with a size ratio of 5 are simulated at high reduced density and low concentration of the large sphere. Data for the solute-solvent pair distribution function show that at the lowest concentrations of the large sphere simulated, the Boublik-MansooriCarnahan-Starling-Leland (BMCSL) equation underestimates the contact value; whereas the recently proposed Henderson-Chan (HC) equation gives a good prediction. For the solute-solute contact value at the colloidal limit, the MC data lie between the two predictions. The BMCSL equation underestimates, while the HC equation overestimates, the correct solute-solute contact value.
Keywords :
Organic compounds , Infrared spectroscopy , Electronic paramagnetic resonance (EPR) , Chemical synthesis , Fullerenes
Journal title :
MOLECULAR PHYSICS
Journal title :
MOLECULAR PHYSICS