in this work, a molecular dynamics simulation of the transport of water - methanol mixture through the single wall carbon nanotube (swcnt) is reported. methanol and water are selected as fluid molecules since water represents a strongly polar molecule while methanol is as an intermediate between polar and strongly polar molecules. some physical properties of the methanol-water mixture such as r...

In this work, a molecular dynamics simulation of the transport of water - methanol mixture through the single wall carbon nanotube (SWCNT) is reported. Methanol and water are selected as fluid molecules since water represents a strongly polar molecule while methanol is as an intermediate between polar and strongly polar molecules. Some physical properties of the methanol-water mixture such as r...

in the present work, a modified correlation is presented for the second virial coefficients of both polar and nonpolar fluids based on the corresponding states principle. the second virial coefficients of gaseous polar and non-polar compounds were calculated and compared with experimental data and with other correlations. comparisons with the existing correlations show that the present work is ...

We developed an equation of state (EOS) by Ihm, Song, and Mason (ISM) for polar fluids. The model consists of four parameters, namely, the second virial coefficient, an effective van der Waals co-volume, a scaling factor, and the reduced dipole moment. The second virial coefficient is calculated from a correlation that uses the heat of vaporization, and the liquid density at the normal boiling ...

In the present work, a modified correlation is presented for the second virial coefficients of both polar and nonpolar fluids based on the corresponding states principle. The second virial coefficients of gaseous polar and non-polar compounds were calculated and compared with experimental data and with other correlations. Comparisons with the existing correlations show that the present work is ...

In the past, the extended corresponding states approach to fluid property prediction has been restricted to Ž . non-polar fluids e.g., hydrocarbons and some common non-polar inorganics due to the lack of an accurate way to predict the required shape factors. In this work, a new predictive method to obtain shape factors for the Ž . extended corresponding states theory ECST has been developed whi...

The effects of the ratio of particle diameter to lattice spacing, z, on critical parameters for both polar and nonpolar fluids have been examined in detail. Nonpolar systems studied have short range Buckingham exponential-6 interactions, while polar systems have long range Coulombic forces treated with Ewald summation. Monte Carlo simulations in the grand canonical ensemble combined with histog...

A self-consistent approach for the evaluation of the existing three-parameter corresponding states principles of non-polar fluids and the calculation of the corresponding states parameters is presented. This self consistent approach is based upon the assumption that the contribution of the third parameter to the thermophysical properties is much smaller than the contributions of the first two p...