We propose a density-functional theory (DFT) describing inhomogeneous polymer-carbon dioxide mixtures based on a perturbed-chain statistical associating fluid theory equation of state (PC-SAFT EOS). The weight density functions from fundamental measure theory are used to extend the bulk excess Helmholtz free energy to the inhomogeneous case. The additional long-range dispersion contributions ar...

This work describes the development of a new 3D ultrasonic imaging method that combines different beamforming techniques (Phased Array -PAand Synthetic Aperture Focusing Technique -SAFT-). The proposed methodology uses a silicone mask along the x-axis to produce a wide beam in the array width direction (y-axis). Then, a coherent-spatial composition of several phased array B-scan images is imple...

The SAFT-VR equation of state is combined with a semi-continuous thermodynamic approach to model several synthetic and crude oil systems. In our approach, the oil fractions are defined by a continuous distribution that is then represented as discrete pseudo-components using the Gaussian quadrature method. The SAFT-VR parameters for the pseudo-components are obtained from simple linear relations...

An extensive comparison of SRK, CPA, and PC-SAFT for the speed of sound in normal alkanes has been performed. The results reveal that PC-SAFT captures the curvature of the speed of sound better than cubic EoS, but the accuracy is not satisfactory. Two approaches have been proposed to improve PC-SAFT’s accuracy for speed of sound: (i) putting speed of sound data into parameter estimation; (ii) p...

Vapor–liquid interfacial tension of square-well ~SW! fluids is calculated using three different methods viz., molecular dynamics ~MD! with collision-based virial evaluation, Monte Carlo with virial computed by volume perturbation, and Binder’s density-distribution method in conjunction with grand-canonical transition-matrix Monte Carlo ~GC-TMMC!. Three values of the SW attractive well range par...

In this work, the solubilities of pharmaceutical cocrystals in solvent/anti-solvent systems were predicted using PC-SAFT in order to increase the efficiency of cocrystal formation processes. Modeling results and experimental data were compared for the cocrystal system nicotinamide/succinic acid (2:1) in the solvent/anti-solvent mixtures ethanol/water, ethanol/acetonitrile and ethanol/ethyl acet...

Because of the need of rapid detection of internal defects and embedded object in concrete structures, a ultrasonic detecting method with linear array transducers is presented here, which is the high-resolution and efficient imaging technique for concrete materials by combining with synthetic aperture focusing technique (SAFT). At first, simulation data of array detection are processed to be am...