Viscosity Calculations with the Eyring−Patel−Teja Model for Liquid Mixtures

Abstract

The Patel-Teja equation of state was incorporated with Eyring's theory to form the Eyring-Patel-Teja viscosity model, in which both the excess activation free energy of flow and the density of a liquid mixture were calculated with the aid of the equation of state. The model correlated viscosities to a grand average absolute deviation of 2.1% for 60 nonaqueous binaries, when the one-parameter van der Waals one-fluid mixing rules were used for the equation constants of such mixtures. With the two-parameter Redlich-Kister type mixing rule of a m , the Eyring-Patel-Teja model correlated viscosities to a grand average absolute deviation of 4.5% for 15 aqueous binaries. This new model is applicable to elevated pressures and, with the binary interaction parameters as determined from binary mixtures, also successfully predicted ternary viscosities. The binary interaction parameters could be estimated from a rather limited data source of mixture viscosities (one data point for a nonaqueous system and two data points for an aqueous system).

Prediction of the viscosity of water confined in carbon nanotubes

“…Furthermore, some theoretical methods and empirical formulas have also been proposed to estimate the fluid viscosity (Poling et al 2001). Eyring et al (Eyring 1936;Kincaid et al 1941;Powell et al 1941) presented the Eyring theory of viscosity which has been extensively investigated and developed to examine the temperature and pressure dependences of the viscosity (Bosse and Bart 2005;Horne et al 1965;Lee et al 1999;Lei et al 1997). By using the equilibrium MD simulations, the viscosity can also be calculated by the stress-correlation function (Alfè and Gillan 1998;Balasubramanian et al 1996;Bertolini and Tani 1995;Guo and Zhang 2001) and the Stokes-Einstein relation (Alfè and Gillan 1998;Sun et al 2007; Thomas and McGaughey 2008).…”

“…Generally, the activation energy is related to the heat of vaporization which has been extensively studied (Kincaid et al 1941). It can also be expressed as a function of the state variables and undetermined coefficients in some empirical formulas (Bosse and Bart 2005;Lee et al 1999;Lei et al 1997). Moreover, in physical chemistry, the nudged elastic band method based on the transition state theory is commonly utilized to calculate the activation energy (Henkelman and Jónsson 2000).…”

Pilot plant study on the extractive distillation of toluene–methylcyclohexane mixtures using NMP and the ionic liquid [hmim][TCB] as solvents

“…The Eyring-Patel-Teja model was used to correlate the experimental data [25]. The model needs of parameters that are obtained by regressing experimental data and minimizing the relative difference between the experimental data and the calculated value.…”

PVTx properties of H2O–H2S fluid mixtures at elevated temperature and pressure based on new experimental data

“…Thus, for example, the values of the saturated vapour and liquid density measured experimentally for H 2 O and H 2 S deviate from the values calculated using the PT-EOS by less than 2-3%, and those for the vapour pressure deviate by about 0.3% and 0.1% from the values calculated using PRSV and PT EOS, respectively (Stryjek and Vera, 1986;Patel and Teja, 1982). As the H 2 O-H 2 S system contains polar and associated components, in addition to simple classical quadratic mixing rules, we applied composition-dependent Redlich-Kister or Margules-type mixing rules (Lee et al, 1999;Anderko, 2000) and density-dependent mixing rules (Panagiotopoulos, 1986;Lee and Sandler, 1987). Also, because H 2 O-H 2 S fluids are highly non-ideal, binary interaction parameters (BIPs), which permit modification of the attractive term of the equation, were used to introduce the flexibility into the EOS needed to accurately describe their PVTx properties (Anderko, 1990).…”