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# Fluid Phase Equilibria (v.307, #1)

Compressed liquid densities of 1,1,1,3,3-pentafluoropropane (HFC-245fa) and 1,1,1,3,3,3-hexafluoropropane (HFC-236fa) by Jianguo Yin; Jiangtao Wu (

*pp. 1-5*).

^{−3}. The experimental results were correlated to a Tait equation. The average absolute percentage deviations of measurement results from the correlations of HFC-245fa and HFC-236fa are 0.0096% and 0.031%, respectively.

**Keywords:** Density; Data; Vibrating tube; HFC-245fa; HFC-236fa

Phase equilibrium measurements of structure II clathrate hydrates of hydrogen with various promoters by Alondra Torres Trueba; Laura J. Rovetto; Louw J. Florusse; Maaike C. Kroon; Cor J. Peters (

*pp. 6-10*).

**Keywords:** Clathrate hydrate; Structure II; Hydrogen; Cyclopentane; Furan; 2,5-Dihydrofuran; Tetrahydropyran; 1,3-Dioxolane; Phase equilibrium

Measurement and correlation of solubility of benzamide in supercritical carbon dioxide with and without cosolvent by Jia-lin Li; Jun-su Jin; Ze-ting Zhang; Yu-bo Wang (

*pp. 11-15*).

**Keywords:** Solubility; Benzamide; Supercritical carbon dioxide; Cosolvent

Synergistic adsorption of Triton X-100 and CTAB surfactants at the toluene+water interface by Javad Saien; Simin Asadabadi (

*pp. 16-23*).

*α*

_{Triton}>0.3. ► The highest degree of synergism (40.6%) is appropriate to the lowest used interfacial tension. ► The attractive interaction parameter finds its maximum absolute value at

*α*≈0.5. ► An alternative variation for interaction between surfactants is revealed at the interface. ► A correlation is introduced for the interaction parameter in the sense of ease of applications.Equilibrium interfacial tension measurements at 25.0°C of the toluene+water system with two widely used surfactants, octylphenol decaethylene glycol ether (Triton X-100) and cetyl trimethyl ammonium bromide (CTAB) having concentrations much lower than their CMC were performed. According to the obtained parameters from the Szyszkowski equation, Triton has higher adsorption tendency than of CTAB. The results obtained for surfactants mixtures are analyzed by the theory of non-ideal interactions in binary mixtures (NIBMs) and the interfacial composition and the interaction parameter in the mixed adsorbed monolayer are determined. The attractive interaction shows a maximum value at nearly equal surfactants bulk mole fraction. The synergism is achieved for Triton bulk mole fractions of 0.30 and higher, and the highest degree of synergism (40.6%) is found for the bulk mole fraction of 0.52 with the lowest investigated constant interfacial tension of 28.0mNm

^{−1}. A correlation was developed for variation of the interaction parameter with bulk mole fraction.

**Keywords:** Abbreviations; CMC; critical micelle concentration; CTAB; cetyl trimethyl ammonium bromide; DTMAC; dodecyl trimethyl ammonium chloride; NIBM; non-ideal interactions in binary mixtures; SD; standard deviations about regression; SDS; sodium dodecyl sulfateInterfacial tension; Synergism; Interaction parameter; NIBM theory

Measurements and correlation of vapour–liquid equilibria of 2-butanone and hydrocarbons binary systems at two different pressures by Estela Lladosa; Nelson F. Martínez; Juan B. Montón; Javier de la Torre (

*pp. 24-29*).

**Keywords:** Vapour–liquid equilibria; 2-Butanone; n-Hexane; n-Heptane; 2,2,4-Trimethylpentane

Physical properties of 3-methyl-

*N*-butylpyridinium tricyanomethanide and ternary LLE data with an aromatic and an aliphatic hydrocarbon at

*T*=(303.2 and 328.2)K and

*p*=0.1MPa by Wytze (G.W.) Meindersma; Tim van Acker; André B. de Haan (

*pp. 30-38*).

_{3}and an aromatic+aliphatic hydrocarbon. ► The LLE data were modeled with the NRTL model.Several physical properties were determined for the ionic liquid 3-methyl-

*N*-butylpyridinium tricyanomethanide ([3-mebupy]C(CN)

_{3}): liquid density, viscosity, surface tension, thermal stability and heat capacity in the temperature range from (283.2 to 363.2)K and at 0.1MPa. The density and the surface tension could well be correlated with linear equations and the viscosity with a Vogel–Fulcher–Tamman equation. The IL is stable up to a temperature of 420K.Ternary data for the systems {benzene+

*n*-hexane, toluene+

*n*-heptane, and

*p*-xylene+

*n*-octane+[3-mebupy]C(CN)

_{3}} were determined at

*T*=(303.2 and 328.2)K and

*p*=0.1MPa. All experimental data were well correlated with the NRTL model. The experimental and calculated aromatic/aliphatic selectivities are in good agreement with each other.

**Keywords:** Thermodynamic data; Liquid–liquid equilibria; Ionic liquid; NRTL model

Experimental measurement and thermodynamic modeling of liquid–liquid equilibrium for 1-pentanol+water+NaNO

_{3}at 298.15 and 308.15K by Fatemeh Pirahmadi; Bahman Behzadi; Mohammad Reza Dehghani (

*pp. 39-44*).

**Keywords:** Mixed solvent electrolyte solution; Liquid–liquid equilibrium; Extended UNIQUAC model; 1-Pentanol; Sodium nitrate

Combined chemical and phase equilibrium for the hydration of ethylene to ethanol calculated by means of the Peng–Robinson–Stryjek–Vera equation of state and the Wong–Sandler mixing rules by Mario Llano-Restrepo; Y. Mauricio Muñoz-Muñoz (

*pp. 45-57*).

**Keywords:** Synthetic ethanol; Petrochemical ethanol; Fuel ethanol; Ethylene hydration; Chemical equilibria; Vapor–liquid equilibria

Molecular dynamics study of selective adsorption of PCB on activated carbon by Bjørnar Jensen; Tatiana Kuznetsova; Bjørn Kvamme; Åge Oterhals (

*pp. 58-65*).

**Keywords:** Molecular dynamics; Activated carbon; PCB; Adsorption

Isothermal vapour–liquid equilibria in the binary and ternary systems composed of 2,2,4-trimethylpentane, 2-methyl-1-propanol, and 4-methyl-2-pentanone by Svatoslava Bernatová; Jan Pavlíček; Ivan Wichterle (

*pp. 66-71*).

**Keywords:** Vapour–liquid equilibrium; Experimental data; Prediction; Hydrocarbon; Alcohol; Ketone

Experimental determination and calculation of the critical curves for the binary systems of CO

_{2}containing ketone, alkane, ester and alcohol, respectively by Yongju Sun; Yanfen Li; Jianguo Zhou; Rongjiao Zhu; Yiling Tian (

*pp. 72-77*).

_{2}binary systems are determined and calculated. ► The calculated results show good agreements compared with the experimental data. ► The adjustable parameters

*λ*,

*k*

_{σ}and

*k*

_{ɛ}were obtained. ► The critical curves all belong to type I at higher temperatures and pressures.A set of variable-volume autoclave with a quartz window was used for the experimental determination of the high-pressure phase equilibria and critical curves. The critical temperatures, pressures, densities and mole volumes in the region near the critical point of CO

_{2}were examined for eleven binary systems of supercritical CO

_{2}(SC CO

_{2}) with different kinds of substances (ketone, alkane, ester and alcohol), respectively. The critical curves of the above binary systems were also calculated using an equation of state. The equation consists of a hard body repulsion term and an additive perturbation term, which takes care of the attractive molecular interaction. The calculated data were compared with the experimental data, and yielded good agreements. At the same time, the values of the adjustable parameters,

*λ*,

*k*

_{σ}and

*k*

_{ɛ}were obtained. The critical curves of the above eleven binary systems at higher temperatures and pressures all belong to type I.

**Keywords:** Binary systems; SC CO; _{2}; Critical curves

Uncertainty analysis applied to thermodynamic models and process design – 1. Pure components by Samaneh Hajipour; Marco A. Satyro (

*pp. 78-94*).

_{5}–C

_{36}with parameters determined using weighted linear least squares and weighted non-linear least squares taking into consideration the experimental uncertainty in the data as well as in the correlating parameters. The correlation model was parameterized using the normal boiling point and specific gravity at 60°F. The uncertainties of parameters and associated covariance matrix necessary for error propagation calculations are reported and a comprehensive evaluation of acentric factors uncertainties based on the experimental vapor pressures was conducted. In addition, a simple sensitivity analysis designed to determine how the uncertainty of properties used for calculations based on the equations of state propagate thorough the model and affect the final results. The normal boiling points of two pure components,

*n*-hexane and

*n*-dodecane were calculated using an equation of state and the estimated error in the calculations is presented together with estimated uncertainties for the prototype pressure–temperature envelopes for two binary mixtures of methane–

*n*-hexane and methane–

*n*-dodecane.

**Keywords:** Error propagation; Errors in physical property models; Estimation of physical properties; Cubic equations of state; Phase envelope calculation; Process simulation

Formation conditions and thermodynamic model predictions of carbon monoxide hydrates by Qiang Sun; Xuqiang Guo; Aixian Liu; Bei Liu (

*pp. 95-99*).

**Keywords:** Carbon monoxide; Hydrate; Tetrahydrofuran; Chen–Guo model

An isothermal (30°C) study of heterogeneous equilibria in the sucrose (C

_{12}H

_{22}O

_{11})–calcium hydroxide (Ca(OH)

_{2})–water system by K. Labgairi; A. Jourani; M. Kaddami (

*pp. 100-103*).

_{12}H

_{22}O

_{11}·3Ca(OH)

_{2}and C

_{12}H

_{22}O

_{11}·2Ca (OH)

_{2}have been evidenced. ► This work shows that these ternary phases exhibit incongruent solubilities at 30°C.Solid–liquid equilibria in the C

_{12}H

_{22}O

_{11}–Ca(OH)

_{2}–H

_{2}O system have been determined at 30°C. Two phases C

_{12}H

_{22}O

_{11}·3Ca(OH)

_{2}and C

_{12}H

_{22}O

_{11}·2Ca (OH)

_{2}have been evidenced, and solubility (liquidus) curves have been determined. It is thus shown that these ternary phases exhibit incongruent solubilities at 30°C. These solid phases were characterized using Infrared Spectroscopy (IR), Scanning Electron Microscopy (SEM) and Inductively Coupled Plasma Atomic Emission Spectroscopy (ICP-AES).

**Keywords:** Phase equilibria solid–liquid; Ternary system C; _{12}; H; _{22}; O; _{11}; –Ca(OH); _{2}; –H; _{2}; O; Calcium saccharates

Experimental measurement and modeling of solubility of LiBr and LiNO

_{3}in methanol, ethanol, 1-propanol, 2-propanol and 1-butanol by Mi-Yi Li; Li-Sheng Wang; Kun-Peng Wang; Bo Jiang; Jürgen Gmehling (

*pp. 104-109*).

_{3}in alcohols. ► Temperature range is between 298.15 and 338.15K. ► Solubility products of the salts in pure organic solvent. ► Osmotic coefficients calculated based on Pitzer model.The solubility of lithium bromide and lithium nitrate in solvents methanol, ethanol, 1-propanol, 2-propanol and 1-butanol were measured in the range between 298.15 and 338.15K using an analytical gravimetric method. An empirical equation was used to fit the experimental solubilities and the Pitzer model with inclusion of Archer's ionic strength was used for the calculation of osmotic coefficients. The experimental data of system pressures (

*p*) for the correlation of LiBr+ethanol, LiBr+2-propanol at

*T*(298.15–333.15K) and LiNO

_{3}+ethanol at

*T*(298.15–323.15K) were obtained from published literatures. Moreover, the parameters of the Pitzer model were re-correlated and were used to predict mean ion activity coefficients. A procedure was also presented to predict the solubility products of salts in pure organic solvent.

**Keywords:** Solubility; Activity coefficient; Lithium bromide; Lithium nitrate

*pp. 110-112*).