The purpose of this work was to elaborate a database of binary interaction parameters of different mixing rules, for the Soave-Redlich-Kwong (SRK) and Peng-Robinson (PR) equations of state, using experimental data of binary and multicomponent systems of hydrocarbons, N2, CO2, water, β-carotene, ethanol, acetone and methanol, in order to apply in simulations with the Aspen Hysys fractionation processes, of natural gas into a simplified turbo-expansion process; fractionation of oil, gas and water, in three-phase separator, supercritical CO2 extraction of acetone from an aqueous solution and β-carotene from an aqueous solution in multistage countercurrent column. In general, there were no significant differences, to both equations, in the phase equilibrium prediction of the binary systems studied, between the quadratic and Mathias-Klotz-Prausnitz (MKP) mixing rules with two and three parameters. It is worth mentioning that the MKP mixing rule with 3 binary interaction parameters presented the smallest absolute errors for hydrocarbon binary systems and CO2/hydrocarbons systems. For the settings of hydrocarbons phase equilibrium multicomponent systems data, the SRK equation combined with quadratic mixture rule with 2 binary interaction parameters, was presented the lowest average errors for ternary systems and for system with 5 components in both phases. In the case study of three-phase separator the SRK equation with the mixing rule RK-Aspen was the one that presented the greater separation of the aqueous phase of all simulations (285.68 kg/h) against 256.88 kg/h to the SRK equation, 249.81 kg/h for the PR equation and 152.90 kg/h to PRSV equation, confirming the great influence of the use the binary interaction parameters matrix determined in this work, with emphasis on the parameters that represent the interactions between the hydrocarbons with water. The results of the simulations with the simplified plant turboexpansion are according to the analysis described in the literature showing the following recovery rates of ethane: 84.045% to PRSV, 84.042% for SRK, 84.039% for TST and PR and 83.98% for RK-Aspen. The final product of the simulation published in the literature for the fractionation of an aqueous solution of acetone by using supercritical CO2 extraction process consisted in the output current from the bottom of the distillation column at 65 atm (6586 kPa), with a composition of 67.67% CO2 (74.3 kg/h), 31.11% of acetone (34.15 kg/h) and 1.21% (1.33 kg/h) of water in mass base. In the simulation with Aspen Hysys the output current of the distillation column was subjected to a set of flash separators for separation of CO2 reaching the recovery of 27 kg/h of acetone in three currents (11.14 and 15) with less than 5 kg/h CO2 waste and 0.8 kg/h of water. The fractionation of aqueous solution of β- carotene was simulated with the Aspen Hysys, with a multistage countercurrent column and a vertical flash separator for separation of CO2. The simulations have converged with a minimum of five stages. It was retrieved from an underflow (product) flash separator with 97.83% of β-carotene against 89.95% by mass for the simulation of an extractor of a single stage published in the literature.
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