Journal Article10.1021/ACS.IECR.8B04732
Thermodynamic Properties of Amines under High Temperature and Pressure: Experimental Results Correlating with a New Modified Tait-like Equation and PC-SAFT
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TL;DR: In this paper, the perturbed-chain statistical associating fluid theory (PC-SAFT) was used to estimate the parameters of the PCSAFT equation of state (EoS) for pure solvents.
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Abstract: New experimental densities for diethylamine (DEA), dibutylamine (DBA), and tributylamine (TBA) at 11 isotherms in the range of 293.15–473.15 K and 18 isobars up to 37.5 MPa are reported. PρT measurements (176 experimental data points) have been performed using a high-pressure vibrating-tube densimeter. These data were correlated with a new modified Tait-like equation considering standard deviations of less than 2 × 10–4 g·cm–3, and then isothermal compressibility (κT) and thermal expansion coefficient (αP) were calculated. This study is supported by the results of modeling using the perturbed-chain statistical associating fluid theory (PC-SAFT). The parameters of PC-SAFT equation of state (EoS), for pure solvents, were rigorously determined by fitting the equation to the liquid PρT experimental data. In this study, the correlations, which are based on minimizing the total objective functions (density, pressure, and temperature) simultaneously, were developed to estimate the PC-SAFT parameters. The model r...
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Citations
Experimental High-Temperature, High-Pressure Density Measurement and Perturbed-Chain Statistical Associating Fluid Theory Modeling of Dimethyl Sulfoxide, Isoamyl Acetate, and Benzyl Alcohol
TL;DR: In this paper, the Anton Paar density meter (DMA HP) was used to measure the density of three solvents including dimethyl sulfoxide, benzyl alcohol, and isoamyl acetate at temperatures of 293.15-473.15 K and pressures up to 35.5 MPa.
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Densities, Speeds of Sound and Heat Capacities of Binary and Ternary Mixtures Containing Cyclic Amines, Lactam and Pyridine
TL;DR: In this article, the Redlich-Kister equations were fitted with the experimental data, and adjustable binary and ternary parameters along with the standard deviations have been estimated for the investigated binary mixtures (determined by using experimental data).
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The excess volumes of protic ionic liquids and its significance to their thermodynamic modelling
TL;DR: In this paper, a simplified volume shift type correction is applied in the framework of PC-SAFT EoS to provide a more accurate modelling of PILs density data, and its limitations are discussed, suggesting the need for additional experimental data (e.g., on the quantification of the different species present) for the development of robust and general thermodynamic models for PIL.
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Modeling the fluid phase behavior of amines, aromatic amines and their mixtures using the modified group-contribution PC-SAFT
01 Jan 2022
TL;DR: In this article , a modified group-contribution PC-SAFT has been extended to model the fluid phase behavior of amines containing mixtures, and the importance of the polar and association terms was investigated using the PC-SFT EoS by applying the model to calculate the liquid-liquid equilibrium of aromatic amine containing systems.
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The excess volumes of protic ionic liquids and its significance to their thermodynamic modelling
01 Jan 2022
TL;DR: In this paper , a simplified volume shift type correction is applied in the framework of PC-SAFT EoS to provide a more accurate modelling of PILs density data, and the implemented correction is shown to increase the accuracy and predictive ability of the model, and its limitations are discussed, suggesting the need for additional experimental data (e.g., on the quantification of different species present).
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