Vapor Liquid Equilibrium for Six Binary Systems of C₄-Hydrocarbons + 2-Propanone

Abstract

Isothermal vapor−liquid equilibrium of the six binary systems 2-propanone + n-butane, + 2-methylpropane, + 1-butene, + cis-2-butene, + 2-methylpropene, + trans-2-butene were measured from (364.1 to 365.46) K with an automated static total pressure apparatus. Measured pTz data was reduced into pTxy data using the Barker method. Error analysis was conducted for all measured and calculated data. All measured systems exhibited positive deviation from Raoult's law, and an azeotropic point was found for the n-butane + 2-propanone system. Parameters of Wilson and UNIQUAC activity coefficient models were regressed with the experimental VLE data. Results obtained with two predictive methods, UNIFAC and COSMO-RS, were compared with measured data.

The development of unlike induced association-site models to study the phase behaviour of aqueous mixtures comprising acetone, alkanes and alkyl carboxylic acids with the SAFT-γ Mie group contribution methodology

“…The SAFT-γ Mie calculations of the fluid-phase equilibria of acetone + n-heptane at T = 313.15 K and at P = 101 kPa, and of acetone + n-hexane and acetone + n-octane at all conditions are fully predictive. [133], and T = 318.6 K (circles) [132]. The SAFT-γ Mie calculations of the fluidphase equilibria for acetone + 2-methylpropane are fully predictive.…”

“…acetone + 2-methylbutane [131] and acetone + 2-methylpropane [132,133]. Comparisons of the SAFT-γ Mie predictions of the vapour-liquid equilibria with the available experimental data are shown in Figure 7.…”

Comparison of SAFT-VR-Mie and CP-PC-SAFT in Estimating the Phase Behavior of Acetone + n-Alkane Systems

“…Predictions of high-pressure VLE in the nitrogen (1) + acetone (2) (A), , oxygen (1) + acetone (2) (B), carbon monoxide (1) + acetone (2) (C), methane (1) + acetone (2) (C), ethane (1) + acetone (2) (D), propane (1) + acetone (2) (E), and n -butane (1) + acetone (2) (F) , systems. Pointsexperimental data.…”

Quantifying the effect of polarity on the behavior of mixtures of n‐alkanes with dipolar solvents using polar soft‐statistical associating fluid theory (Polar soft‐SAFT)

“…Improved modeling accuracy was obtained through introducing a single binary energy interaction parameter, ξ = 0.990, fitted to VLE data for acetone + n ‐pentane at 373 K 73 . Remarkably, this parameter was used in a fully transferable manner to accurately predict the VLE of mixtures of acetone with other n ‐alkanes 72,74 and at other conditions 73,75,76 (see Figure S8 in the Supporting Information).…”

“…Using the models in a fully predictive manner underestimated the VLE for the studied systems within 7.0% deviation from experimental data, particularly the azeotropic pressure for mixtures with n-pentane and n-hexane. Improved modeling accuracy was obtained through introducing a single binary energy interaction parameter, ξ = 0.990, fitted to VLE data for acetone + n-pentane at 373 K. 73 Remarkably, this parameter was used in a fully transferable manner to accurately predict the VLE of mixtures of acetone with other n-alkanes 72,74 and at other conditions 73,75,76 (see Figure S8 in the Supporting Information).…”