Tao Mason Research Articles

On the thermodynamic properties of solutions containing 2-hydroxy ethylammonium formate ionic liquid

Speeds of sound and densities for a set of binary mixtures including ionic liquid, 2-hydroxy ethyl ammonium formate (2-HEAF), with benzyl alcohol, 2-butanol and 1,2-butanediol, that are new in literature, were measured over the entire composition range and at six temperatures from 298.15 K to 323.15 K and atmospheric pressure by means of vibrating tube densitometer DSA 5000. From the experimental data, the excess molar properties consisting of excess molar volume, the excess thermal expansion coefficients, and the excess partial molar volumes, the excess partial molar volumes at infinite dilution, and deviation in isentropic compressibility, were calculated and correlated with the third-order Redlich–Kister equation. The results have been used to discuss the nature and strength of intermolecular interactions in these mixtures. Finally, it has been checked how the calculated values of densities using the Tao-Mason (TM) equation of state passes through the measured ones.

A new model to predict the densities of nanofluids using statistical mechanics and artificial intelligent plus principal component analysis

Abstract In this work, some thermodynamic properties of nanofluids such as Sb 2 O 5; SnO 2 /(EG + H 2 O), ZnO/(EG + H 2 O), Al 2 O 3 /(EG + H 2 O), ZnO/(PEG + H 2 O), ZnO/PEG, and TiO 2 /EG were estimated from the extended Tao–Mason equation of state, together with the Pak and Cho equation in various temperature, pressure, and volume fractions. The equations of state using minimum input data and density at room temperature as scaling constants, were developed to estimated densities of the above mentioned nanofluids. Furthermore, the artificial neural network plus principal component analysis (PCA) technique (with 20 neuron in hidden layer) was performed over the whole range of available conditions. The AADs of the calculated molar densities of all nanofluids using the EOS and ANN at various temperatures and volume fractions are 1.11% and 0.48%, respectively. In addition, the heat capacity and isentropic compressibility of the above mentioned nanofluids are predicted using obtained densities of EOS with the Pak and Cho equation.

Erratum to “Performance assessment of Tao–Mason equation of state: Results for vapor–liquid equilibrium properties [J. Ind. Eng. Chem. 17 (4) (2011) 667–674

We have noticed some errors in the equations presented in [J. Ind. Eng. Chem. 17 (4) (2011) 667–674] for calculation of the dimensionless quantities α(T)/VB and b(T)/VB from the Lennard-Jones (12,6) potential.

Measurement and Modeling of Volumetric Properties and Speeds of Sound of Several Mixtures of Alcohol Liquids Containing Butanediol

Densities and speeds of sound for the pure as well as binary mixtures of 1,2-butanediol and benzyl alcohol, 2-phenylethanol, 2-butanol, and 1,3-butanediol were measured over the 0 to 1 composition range and at six different temperatures between 298.150 K and 323.150 K with an interval of 5 K and at atmospheric pressure using a vibrating tube densimeter.The experimental values were used to calculate excess molar volume, VmE, excess isentropic compressibility, KSE, excess thermal expansion coefficient, αpE, infinite partial molar volumes, Vi∞ and excess partial molar volumes at infinite dilution, ViE,∞. The sign and magnitude of mixing quantities have been used to discuss the nature and strength of molecular interactions in binary mixtures. The calculated excess values and deviation quantities were fitted to the Redlich–Kister polynomials equation. Furthermore, it has been checked how the calculated values of densities and excess molar volumes using the Tao–Mason equation of state compare with the experim...

Prediction of thermodynamic behavior of copolymers using equation of state and artificial neural network

A simplified procedure with minimum input information for predicting of the densities of copolymer melts is presented. This new correlation has been applied to the Tao-Mason (TM) equation of state to predict the volumetric behavior of copolymer melts including poly(ethylene-co-propylene) (PEP), poly(ethylene-co-vinyl acetate) (PEVA), poly(ethylene-co-metacrylic acid) (PEMA), poly(ethylene-co-acrylic acid) (PEAA), poly(ethylene-co-vinyl alcohol) (PEVOH), poly(styrene-co-acrylonitrile) (PSAN), and poly(acrylonitrile-co-butadiene) (PANB). Also another model such as an artificial neural network (ANN) based on backpropagation training with 13 neurons was used. The obtained results by TM and ANN models had good agreement with the experimental data with absolute average deviations of 1.34 and 0.49 %, respectively.

Modeling the thermodynamic behavior of copolymers using equation of state

A simplified procedure with minimum input information for calculating an analytical equation of state for copolymer melts from density and surface tension at the room temperature, as scaling constants, is presented. The second virial coefficients are calculated from a two-parameter corresponding states correlation, which is constructed with two constants as scaling parameters, i.e., the molar density (ρ r) and surface tension at room temperature (γ r). This new correlation has been applied to the Tao–Mason equation of state to calculate the volumetric behavior of copolymer melts including poly(ethylene-co-propylene), poly(ethylene-co-vinyl acetate), poly(ethylene-co-metacrylic acid), poly(ethylene-co-acrylic acid), poly(ethylene-co-vinyl alcohol), poly(styrene-co-acrylonitrile), and poly(acrylonitrile-co-butadiene). The experimental specific volumes were correlated satisfactorily with our procedure and average absolute deviation percent for 7,431 data point is within 0.93 %.

Equation of state and artificial neural network to predict the thermodynamic properties of pure and mixture of liquid alkali metals

A statistical mechanical equation of state is developed to predict the volumetric properties of pure and mixture liquid alkali metals at different temperatures, pressures and compositions. The temperature dependent parameters of the equation of state have been calculated using corresponding states correlation based on the normal boiling point parameters as scaling constants. It is shown that the knowledge of just normal boiling point and its liquid density are sufficient to estimate the thermodynamic properties of pure and mixture liquid alkali metals in different conditions. Besides, the performance of artificial neural network (ANN) based on back propagation training with 10 neurons in hidden layer for prediction of behavior of presented systems was investigated. A collection of 512 data points for above systems in different temperatures and pressures was used. The Tao–Mason equation of state (TM EOS) and ANN model results have good agreement with the experimental data with absolute average deviations of 0.74% and 0.299%, respectively.

Volumetric properties of ionic liquids and their binary mixtures from improved Tao–Mason equation of state

In this work, the Tao–Mason (TM) equation of state (EOS) has been employed to model the pressure–volume–temperature (PVT) properties of ionic liquids (ILs) by the help of an alternative corresponding state correlation based on the measurable scaling constants, i.e., surface tension and liquid density both at room temperature. Performance of model has been assessed against 2207 experimental data points over a wide temperature range within 293–472K and pressure range from ambient up to 200MPa for 17 imidazolium-based ILs. The average absolute deviation (AAD in %) of the calculated densities from literature values was found to be 0.79%. Generally, this work shows that TM EOS based on the surface tension property of ILs outperforms the previous version of TM EOS which uses normal boiling point properties, i.e. the heat of vaporization and liquid density. Improved TM EOS has also been extended to binary systems formed by ionic liquids to predict their volumetric properties. The performance of the mixture version of improved TM EOS has been assessed against 385 experimental data points, and AAD was found to be 0.78%.

Ability of analytical and artificial approaches for prediction of the volumetric properties of some polymer blends

In this research the statistical–mechanical equation of state and artificial neural network approaches are developed for volumetric properties of polymer blends. The Ihm–Song–Mason (ISM) and Tao–Mason (TM) equations of state based on density and surface tension at melting point (ρm and γm), as scaling constants, were developed. The calculation of second virial coefficients (B2), effective van der Waals co-volume (b) and correction factor (α) are required for judgment about applicability of these models. Also another model such as an artificial neural network (ANN) based on back propagation training with 15 neurons was used. A collection of 5397 data points for five polymer blends in the temperature range of 298.15–605.05K and pressures to 200MPa was used. The obtained results by ISM, TM and ANN models had good agreement with the experimental data with absolute average deviations of 0.72%, 0.84% and 0.34%, respectively. Among the applied methods, higher efficiency and better accuracy was achieved using ANN.

Modification of Tao-Mason equation of state: application to polymer melts

The present work addresses a simplified procedure for the calculation of certain parameters in the Tao-Mason (TM) equation of state (EOS) needed to calculate the volumetric properties of polymer melts using surface tension γf and liquid density at freezing temperature ρf, with scaling parameters at compressed state and in the temperature range of 298.15 to 423.15 K and pressures up to 200 MPa. The polymers in question are polyethylene glycol (PEG), polypropylene glycol (PPG), polypropylene (PP) and polyvinyl choloride (PVC). The calculated densities were in good agreement with the ones obtained from the experimental specific volumes as well as polymer chain-of-rotator (PCOR) EOS. The accuracies were found to be of the order of 1.5%. Finally, the modified TM EOS was further assessed through comparing with the Ihm-Song-Mason (ISM) EOS.

Volumetric properties of polymer blends from Tao–Mason equation of state

The present study is an improvement of previous work (Yousefi and Karimi, Ionics 18:135–142, 17) concern to the assessment of the ability of the Tao–Mason equation of state to predict pressure–volume–temperature (PVT) of melting polymers. The present paper, focus on the modeling of volumetric properties of polymer blends based on melting temperature (Tm) and melting point density (ρm), as scaling constants. The calculation of second Virial coefficients (B2), effective van der Waals co-volume (b) and correction factor (α) are required for judgment about applicability of this model. The new correlations were used to predict the PVT behavior of polymer blends containing poly(propylene glycol) + poly(ethylene glycol) (PEG-200), poly(ethylene glycol) methyl ether(PEGME-350) + PEG-200, PEGME-350 + PEG-600, poly(2,6-dimethyl-1,4-phenylene oxide) + poly styrene(PS), and PS + poly(vinylmethylether) in different temperatures, pressures, and mole fractions. A collection of 5,397 data points has been examined for the aforementioned polymers in the temperature in the range of 298.15–605.05 K and pressures up to 200 MPa. The average absolute deviation between the calculated and experimental densities is of the order of 0.78 %.

Modification of a statistical mechanically-based equation of state: Application to ionic liquids

It is the purpose of this paper to determine the volumetric properties of some ionic liquids (ILs) using the modified version of Tao–Mason (TM) equation of state (EOS). The studied ILs include the cations: imidazolium, phosphonium, pyridinium, pyrrolidium and anions: tetrafluoroborate, bis(trifluoromethylsulfonyl) imide, and hexafluorophosphate. The densities of these compounds were calculated by the usage of the modified TM EOS at several temperatures and pressures. The most important parameter in this EOS is the second virial coefficient which is calculated from a two-parameter corresponding states correlation along with two constants enthalpy of vaporization and molar density both at 298K. The other remaining parameters (i.e., α(T) and b(T)) that appeared in the EOS were calculated from simple equations. Novelty of this work is the modification of the original TM EOS and usage of enthalpy of vaporization and molar density instead of critical and Boyle parameters in the original TM EOS. The good harmony between the calculated and literature density values of ILs confirms the ability of the modified TM EOS in predicting volumetric properties of this class of fluids. Overall average absolute deviation (AAD) of the calculated densities from 3394 experimental data points is 1.48%.

Application of Tao–Mason equation of state to light fluids

A statistically-based equation of state (EOS) proposed by Tao and Mason was applied to four light fluids including 4He, Ne, H2 and CH4. The best intermolecular pair potentials were taken to evaluate the second virial coefficients of four aforecited systems. For CH4 and Ne the first quantum correction, and for He and H2, up to the second quantum correction were performed on the classical second virial coefficient. The calculated second virial coefficients were applied to Tao–Mason (TM) EOS to predict the density of four systems in both subcritical and supercritical regions. Agreement with experiment was excellent for all four systems.

Modeling vapor–liquid equilibrium of various binary mixtures with a statistically based equation of state

The present study is a continuation of previous work (F. Yousefi, J. Moghadasi, M. M. Papari, A. Campo, Ind. Eng. Chem. Res. 48 (2009) 5079–5084) related to the assessment of the ability of the Tao-Mason (TM) equation of state (EOS) in predicting thermodynamic properties of fluid mixtures. In our previous study, we extended the TM EOS to predict pressure–volume–temperature–composition of fluid mixtures. The present paper aims to model vapor–liquid equilibria of some binary mixtures of ionic liquids, refrigerants, hydrocarbons, and monatomic fluids. In this study, the Sheikh-Papari-Boushehri (SPB) correlations have been employed to predict temperature-dependent parameters appeared in the EOS. The novelty of the present work is the application of Tao-Mason (TM) EOS to fluid phase equilibria of mixtures. The outcomes of the computations are compared with the experimental data. Our results demonstrate that the TM EOS can properly model phase equilibria of fluid mixtures with acceptable accuracies.

Modification of Tao–Mason equation of state to ionic liquids

In our previous paper, we extended the Tao and Mason equation of state (TM EOS) to refrigerant fluids, using the speed of sound data. Here, we predict the equation of state for ionic liquids (ILs). The considered ILs are [Bmim][PF6], [C2mim][NtF2], [C3mim][NtF2], [C6mim][NtF2], [C7mim][NtF2], [C2mim][EtOSO3], [Bmim][MeSO4], [Bmim][OcSO4], and [C4mim][dca]. The equation of state consists of three temperature-dependent parameters: the second virial coefficient, a constant for scaling the softness of repulsive force, and an effective hard-sphere diameter equivalent to the van der Waals co-volume. The second virial coefficients of ILs are scare and there is no accurate potential energy function to allow their theoretical calculation. In this work, the second virial coefficient have been calculated using corresponding states correlation based on temperature and density at normal boiling point. The other two parameters of the equation of state can be calculated using a scaling rule. Analysis of our predicted results shows that the Tao–Mason equation of state is capable of accurately predicting the density of ILs at any temperature and pressure. The overall average absolute deviation densities for 1,633 data points are 2.05%. Also, the density of ILs obtained from the TM EOS has been compared with those calculated from vdW–CS–β and Peng–Robinson (PR) equation of state. Our results are in favor of the preference of the TM EOS over the two other equations of state. The overall average absolute deviation for 1,633 data points calculated by vdW–CS–β and PR equation of state are 6.63% and 12.19%, respectively.

Prediction of Volumetric Properties ( p-v-T) of Natural Gas Mixtures Using Extended Tao-Mason Equation of State

A statistical-mechanical-based equation of state (EOS) for pure substances, the Tao-Mason equation of state, is successfully extended to prediction of the ( p-v-T) properties of fourteen natural gas mixtures at temperatures from 225 K to 483 K and pressures up to 60.5 MPa. This work shows that the Tao-Mason equation of state for multicomponent natural gas is predictable with minimal input information, namely critical temperature, critical pressure, and the Pitzer acentric factor. The calculated results agree well with the experimental data. From a total of 963 data of density and 330 data of compressibility factor for natural gases examined in this work, the average absolute deviations (AAD) are 1.704% and 1.344%, respectively. The present EOS is further assessed through the comparisons with Peng-Robinson (PR) equation of state. For the all of mixtures Tao-Mason (TM) EOS outperforms the PR EOS.

Equation of state for polymers based on glass transition data

This paper addresses a method for predicting the participating constants in equation of state (EOS) for compressed polymeric fluids using two scaling constants, the surface tension γg and the molar density ρg, both at the glass transition point. The theoretical EOS undertaken is the one attributed to Tao and Mason. The second virial coefficients are calculated from a two-parameter corresponding states correlation, which is constructed with two constants as scaling parameters, i.e., the surface tension γg and the molar density ρg. This new correlation has been applied to the Tao–Mason (TM) EOS to predict the volumetric behavior of several polymer melts. The operating temperature range is from 291.25 to 603.4 K and pressures of up to 202.5 MPa. A collection of 516 data points has been examined for the aforementioned polymers. The average absolute deviation between the calculated densities and the experimental ones is of the order of 0.44%.

Performance assessment of Tao–Mason equation of state: Results for vapor–liquid equilibrium properties

The present work evaluates the performance of a molecular-based equation of state in predicting thermodynamic properties of several fluids in a very wide range of temperatures encompassing 100 K < T < 1100 K and pressures ranging from zero to 3200 bar. The theoretical equation of state (EOS) is that of Tao–Mason (TM) which is based on statistical mechanical perturbation theory. The 21 fluids including: argon (Ar), krypton (Kr), xenon (Xe), nitrogen (N 2), oxygen (O 2), carbon dioxide (CO 2), methane (CH 4), ethane (C 2H 6), propane (C 3H 8), normal butane (n-C 4H 10), isobutene (i-C 4H 10), ethene (C 2H 4), benzene (C 6H 6), toluene (C 7H 8) as well as refrigerants consisting of 1,1,1,2 tetra fluoroethane (R134a), tetrafluoromethane (R14), chlorodifluromethane (R22), 1,1,1-trifluoroethane (R143a), 1,1,1-trifluoro,2,2-dichloroethane (R123), octafluoropropane (R218), and 1,1-difluoroethane (R152a) are selected and compared with literature data. The calculations cover the ranges from the dilute vapor or gas to the highly compressed liquid and supercritical regions. The thermodynamic properties are the vapor and liquid densities, the vapor pressure, the internal energy, the enthalpy, the entropy, the heat capacity at constant pressure and constant volume, and the speed of sound. It was found that the overall agreement with literature in all phases especially the vapor/gas phase is remarkable. Furthermore, the Zeno line regularity can be well represented by the TM EOS. Finally, the TM EOS is further assessed through comparing with the Ihm–Song–Mason (ISM) equation of state. In general, the TM EOS outperforms the ISM equation of state.

Modification of Tao-Mason equation of state: Application to refrigerant fluids

The present work addresses a simplified procedure for the calculation of certain parameters in the Tao-Mason (TM) equation of state needed to estimate thermodynamic properties of 12 ozone–friendly refrigerants fluids. The calculations cover wide ranges extending from the dilute vapor or gas to highly compressed liquid and supercritical region. The theoretical equation of state (EOS) is that of Tao and Mason which is based on statistical mechanical perturbation theory. The novelty of the present work is that we use two scaling constants, the enthalpy of vaporization and the molar density, both evaluated at the normal boiling temperature. This approach contrasts with the original procedure that employs five scaling constants including the critical temperature, the critical pressure, the Boyle temperature, the Boyle pressure and the acentric factor for calculating three parameters second virial coefficient and temperature-dependent parameters. The modified TM EOS predicts thermodynamic properties with equal or better accuracy than those emerging from the original TM EOS.

Extension of Tao-Mason Equation of State to Mixtures: Results for PVTx Properties of Refrigerants Fluid Mixtures

Tao and Mason (J. Chem. Phys. 1994, 100, 9075−9084) developed a statistical-mechanical-based equation of state (EOS) for pure substances. In the present study, we have successfully extended this EOS to fluid mixtures, selecting refrigerant fluid mixtures as the test systems. The considered refrigerant mixtures are R32 + R125, R32 + R134a, R134a + R152a, R125 + R143a, R125 + R134a, R32 + R227ea, R134a + R290, and R22 + R152a. The second virial coefficient, B(T), necessary for the mixture version of the Tao−Mason (TM) EOS, was determined using a two-parameter corresponding-states correlation obtained from the analysis of the speed of sound data and two constants: the enthalpy of vaporization ΔHvap and the molar density ρnb, both at the normal boiling point. Other temperature-dependent quantities, including the correction factor α(T) and van der Waals covolume b(T), were obtained from the Lennard-Jones (12−6) model potential. The cross parameters B12(T), α12(T), and b12(T), required by the EOS for mixtures, ...