Abstract: High pressure carbon dioxide (CO2) absorption from a specific off-gas in a conventional column has been evaluated for the environmental concerns by the Aspen HYSYS simulator using a wide range of single absorbents and piperazine (PZ) blended solutions to estimate the outlet CO2 concentration, CO2 loading, reboiler power supply and regeneration heat duty to choose the most efficient solution in terms of CO2 removal and required heat duty. The property package, which is compatible with all applied solutions for the simulation in this study, estimates the properties based on electrolyte non-random two-liquid (E-NRTL) model for electrolyte thermodynamics and Peng-Robinson equation of state for vapor phase and liquid hydrocarbon phase properties. The results of the simulation indicate that PZ in addition to the mixture of PZ and monoethanolamine (MEA) demand the highest regeneration heat duty compared with other studied single and blended amine solutions respectively. The blended amine solutions with the lowest PZ concentrations (5wt% and 10wt%) were considered and compared to reduce the cost of process, among which the blended solution of 10wt%PZ+35wt%MDEA (methyldiethanolamine) was found as the most appropriate solution in terms of CO2 content in the outlet gas, rich-CO2 loading and regeneration heat duty.
Abstract: A high pressure carbon dioxide (CO2) absorption from a specific gas in a conventional column has been evaluated by the Aspen HYSYS simulator using a wide range of single absorbents and blended solutions to estimate the outlet CO2 concentration, absorption efficiency and CO2 loading to choose the most proper solution in terms of CO2 capture for environmental concerns. The property package (Acid Gas-Chemical Solvent) which is compatible with all applied solutions for the simulation in this study, estimates the properties based on an electrolyte non-random two-liquid (E-NRTL) model for electrolyte thermodynamics and Peng-Robinson equation of state for the vapor and liquid hydrocarbon phases. Among all the investigated single amines as well as blended solutions, piperazine (PZ) and the mixture of piperazine and monoethanolamine (MEA) have been found as the most effective absorbents respectively for CO2 absorption with high reactivity based on the simulated operational conditions.
Abstract: This study presents three different approaches to
estimate bubble point pressures for the binary system of CO2 and
ethyl palmitate fatty acid ethyl ester. The first method involves the
Peng-Robinson (PR) Equation of State (EoS) with the conventional
mixing rule of Van der Waals. The second approach involves the PR
EOS together with the Wong Sandler (WS) mixing rule, coupled with
the UNIQUAC GE model. In order to model the bubble point
pressures with this approach, the volume and area parameter for ethyl
palmitate were estimated by the Hansen group contribution method.
The last method involved the Peng-Robinson, combined with the
Wong-Sandler method, but using NRTL as the GE model. Results
using the Van der Waals mixing rule clearly indicated that this
method has the largest errors among all three methods, with errors in
the range of 3.96-6.22%. The PR-WS-UNIQUAC method exhibited
small errors, with average absolute deviations between 0.95 to 1.97
percent. The PR-WS-NRTL method led to the least errors, where
average absolute deviations ranged between 0.65-1.7%.
Abstract: There are many difficulties in the purification of raw components and products. However, researchers are seeking better ways for purification. One of the recent methods is extraction using supercritical fluids. In this study, the phase equilibria of benzoic acid -supercritical carbon dioxide system were investigated. Regarding the phase equilibria of this system, the modeling of solid-supercritical fluid behavior was performed using the Perturbed-Chain Statistical Association Fluid Theory (PC-SAFT) and Peng-Robinson equations of state (PR EoS). For this purpose, five PC-SAFT EoS parameters for pure benzoic acid were obtained using its experimental vapor pressure. Benzoic acid has association sites and the behavior of the benzoic acid-supercritical fluid system was well predicted using both equations of state, while the binary interaction parameter values for PR EoS were negative. Genetic algorithm, which is one of the most accurate global optimization algorithms, was also used to optimize the pure benzoic acid parameters and the binary interaction parameters. The AAD% value for the PC-SAFT EoS, were 0.22 for the carbon dioxide-benzoic acid system.
Abstract: Cubic equations of state (EoS), popular due to their simple mathematical form, ease of use, semi-theoretical nature and reasonable accuracy, are normally fitted to vapor-liquid equilibrium P-v-T data. As a result, they often show poor accuracy in the region near and above the critical point. In this study, the performance of the renowned Peng-Robinson (PR) and Patel-Teja (PT) EoS’s around the critical area has been examined against the P-v-T data of water. Both of them display large deviations at critical point. For instance, PR-EoS exhibits discrepancies as high as 47% for the specific volume, 28% for the enthalpy departure and 43% for the entropy departure at critical point. It is shown that incorporating P-v-T data of the supercritical region into the retuning of a cubic EoS can improve its performance at and above the critical point dramatically. Adopting a retuned acentric factor of 0.5491 instead of its genuine value of 0.344 for water in PR-EoS and a new F of 0.8854 instead of its original value of 0.6898 for water in PT-EoS reduces the discrepancies to about one third or less.
Abstract: In this work, ionic liquids (ILs) for CO2 capturing in typical absorption/stripper process are considered. The use of ionic liquids is considered to be cost-effective because it requires less energy for solvent recovery compared to other conventional processes. A mathematical model is developed for the process based on Peng-Robinson (PR) equation of state (EoS) which is validated with experimental data for various solutions involving CO2. The model is utilized to study the sorbent and energy demand for three types of ILs at specific CO2 capturing rates. The energy demand is manifested by the vapor-liquid equilibrium temperature necessary to remove the captured CO2 from the used solvent in the regeneration step. It is found that higher recovery temperature is required for solvents with higher solubility coefficient. For all ILs, the temperature requirement is less than that required by the typical monoethanolamine (MEA) solvent. The effect of the CO2 loading in the sorbent stream on the process performance is also examined.
Abstract: The peng-Robinson (PR), a cubic equation of state (EoS), is extended to polymers by using a single set of energy (A1, A2, A3) and co-volume (b) parameters per polymer fitted to experimental volume data. Excellent results for the volumetric behavior of the 11 polymer up to 2000 bar pressure are obtained. The EoS is applied to the correlation and prediction of Henry constants in polymer solutions comprising three polymer and many nonpolar and polar solvents, including supercritical gases. The correlation achieved with two adjustable parameter is satisfactory compared with the experimental data. As a result, the present work provides a simple and useful model for the prediction of Henry's constant for polymer containing systems including those containing polar, nonpolar and supercritical fluids.