Critical properties of non-spherical molecule fluids from the virial expansion

Critical constants of pure fluids (as important reference data in constructing vapour-liquid phase diagrams and basic input of various estimation methods) were determined for systems of non-spherical Kihara molecules; values of the critical temperature, density, compression factor and pressure of fluids composed of prolate and oblate molecules were evaluated from the fourth-order virial expansion. The second and third virial coefficients of the Kihara molecules were determined by applying the recently proposed method in which the effect of molecular core geometry and functional dependence of a pair interaction on the surface-surface distance are factorized and the former contribution determined from a formula for the corresponding hard convex body virial coefficient. The virial expansion for non-spherical Kihara molecules is applied to determine the critical constants of n-alkanes (methane to octane) and cyclic hydrocarbons (cyclopentane, cyclohexane, benzene and naphthalene); a fair agreement with experimental data was found.     

Critical properties of non-spherical molecule fluids from virial expansion

For systems of Kihara molecules with circular cores, the values of the reduced critical constants were determined from the fourth-order virial expansion as functions of the core diameter/thickness ratio. From expressions for the reduced functions both for the oblate and prolate shapes, the values of critical constants of four cyclic hydrocarbons and four branched alkanes were evaluated and compared with the experimental data and values obtained from the perturbation theory.     

Gaussian-DPSM (G-DPSM) and Element Source Method (ESM) modifications to DPSM for ultrasonic field modeling

In the last few years, Distributed Point Source Method (DPSM) a mesh-free semi-analytical technique has been developed. In spite of its many advantages, one shortcoming of the conventional DPSM method is that the field obtained by conventional DPSM method needs to be scaled to match the theoretical solutions. Two modification techniques called Gaussian-DPSM (G-DPSM) and Element Source Method (ESM) are developed here to avoid the scaling need. G-DPSM technique introduces additional fictitious point sources around every parent point source. Gaussian weight functions determine the strength of these additional fictitious point sources that are denoted as child point sources. ESM replaces discrete point sources used in the conventional DPSM by continuous sources. In the ESM formulation individual point sources are denoted as nodes. Special elements are formed on the boundary by connecting these nodes. The source strength inside the element can vary linearly or non-linearly depending on the order of the interpolation function used inside the element. Results generated by both these methods are compared with the conventional DPSM solution and analytical solution. It is shown that the ultrasonic field in front of the transducer computed by G-DPSM and ESM matches very well with the theory without using any scaling factor.