Recent theoretical and simulation studies suggest an unexpected shift in the solubility of n-alkanes in nearcritical water, which would indicate that longer n-alkane molecules are more soluble than shorter ones. This trend is contrary to what one finds at ambient conditions, where longer alkanes generally have a lower aqueous solubility. The latter is usually interpreted as a consequence of the...

Abstract The SAFT‐γ Mie model is a recent version of statistical associating fluid theory (SAFT), which uses group contribution approach to obtain high‐quality equation state. In this work, is, for the first time, extended ionic liquids (ILs). calculated values agree well with experimental data one‐component, binary and ternary systems that contain ILs, thus indicating versatility accuracy exte...

In this work, the soft statistical associating fluid theory (soft-SAFT) equation of state (EoS) has been used to provide an accurate thermodynamic characterization of the pyridinium-based family of ionic liquids (ILs) with the bis(trifluoromethylsulfonyl)imide anion [NTf(2)](-). On the basis of recent molecular simulation studies for this family, a simple molecular model was proposed within the...

The long-term stability of pharmaceutical formulations of poorly-soluble drugs in polymers determines their bioavailability and therapeutic applicability. However, these formulations do not only often tend to crystallize during storage, but also tend to undergo unwanted amorphous-amorphous phase separations (APS). Whereas the crystallization behavior of APIs in polymers has been measured and mo...

In this study, two battery models for a high-power lithium ion (Li-Ion) cell were compared for their use in hybrid electric vehicle simulations in support of the U.S. Department of Energy’s Hybrid Electric Vehicle Program. Saft America developed the high-power Li-Ion cells as part of the U.S. Advanced Battery Consortium/U.S. Partnership for a New Generation of Vehicles programs. Based on test d...

A Helmholtz energy functional for inhomogeneous fluid phases based on the perturbed-chain polar statistical associating fluid theory (PCP-SAFT) equation of state is proposed. The model is supplemented with a capillary wave contribution to the surface tension to account for long-wavelength fluctuations of a vapor-liquid interface. The functional for the dispersive attraction is based on a nonloc...

The special affine Fourier transform (SAFT) is an extended version of the classical and incorporates various signal processing tools which include transforms, fractional transform, linear canonical other related transforms. This paper aims to introduce a novel octonion (O−SAFT) establish several classes uncertainty inequalities for proposed transform. We begin by studying norm split energy cons...

Nitriles are strong polar compounds showing a highly non-ideal behavior, which makes them challenging systems from a modeling point of view; in spite of this, accurate predictions for the vapor-liquid equilibria of these systems are needed, as some of them, like acetonitrile (CH3CN) and propionitrile (C2H5CN), play an important role as organic solvents in several industrial processes. This work...

Due to scarce available experimental data, as well as due to the absence of predictive models, the influence of salts on the solubility of ionic liquids (ILs) in water is still poorly understood. To this end, this work addresses the solubility of the IL 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ([C4C1im][NTf2]), at 298.15 K and 0.1 MPa, in aqueous salt solutions (from 0.1 to...