Simulation Of Extraction Process Research Articles

EVALUACIÓN ASISTIDA POR COMPUTADORA DE LA EXTRACCIÓN DE SOLVENTES PARA HIDROCARBUROS LIVIANOS USANDO DIÓXIDO DE CARBONO

Different process of separation was used in the chemical industry, in particular, extraction is a process used to increase the quality of resins in oil removing impurities like organics solids and heavy metals. Supercritical carbon dioxide offers high selectivity at the end of the extraction process of light hydrocarbons from heavy oils mixture. A simulation technique in Aspen Plus ®software was used to develop the process and sensitivity analysis of the extraction configuration. The simulation of extraction process includes two output streams: the first one, a top stream (unpaved oil), and the second one a bottom stream (asphalt residue). A steady state methodology was implemented for process simulation. The sensitivity analysis was used to assess the influence of variables such as solvent flow rate, temperature and pressure. It was found a significant increase in the flow rate of unpaved oil when the solvent flow rate is increased. Optimal extraction values were selected depending on temperature and pressure effects over the process. An increase in temperature directly enhances the quality of API gravity. In certain occasions, an increase in pressure affects the light oils extraction because of product drag.

Solute structure effect on aromatics-alkanes extractive separation toward rational LCO upgrading

Unravelling solute effect on extractive separation of aromatics and alkanes is highly required toward its rational incorporation into economical upgrading of light cycle oil (LCO). This work systematically examines the effect of aromatic and alkane structures on extraction performance from experimental and theoretical perspectives. Liquid-liquid extraction experiments demonstrate that the distribution coefficient and extraction efficiency strongly depend on the aromatic structure, whereas the selectivity and theoretical purity of aromatics significantly rely on the alkane structure. The extraction mechanism is elucidated from interaction strength and interfacial thickness analysis using molecular dynamics simulation. The diaromatics of 1-methylnaphthalene has stronger affinity to deep eutectic solvent (DES) than the monoaromatics of tetralin, while longer alkyl-chain in hexadecane enhances its repulsive interaction with DES than dodecane. Extraction process simulation was then carried out with well-regressed parameters of NRTL thermodynamic model. Process simulation confirms that a high extraction performance can be achieved for model LCO containing more diaromatics. Therefore, it is preferable to incorporate aromatics-alkanes extractive separation into the pre-hydrotreating step of LCO upgrading process.

Evaluation of thermophysical data, COSMO‐SAC predictions, and feed simplifications for aromatic extraction process simulation using ionic liquid [EMIM][NTf2

AbstractIonic liquids (ILs) are promising alternatives to conventional solvents for selective separation of aromatics from hydrocarbon mixtures, and their implementations depend on economic feasibility demonstrated by process simulation. Prior process modeling studies typically assume simplified hydrocarbon feeds or use the COSMO‐SAC predictive model. Our goal is to evaluate how feed simplifications and COSMO‐SAC predictions impact process modeling. We collect experimental data for 1‐Ethyl‐3‐methylimidazolium bis(trifluoromethylsulfonyl)imide ([EMIM][NTf2]) from the ILThermo database to regress UNIQUAC model binary interaction parameters for 17 hydrocarbons. We find that feed simplifications tend to significantly underpredict process energy requirements and fail to reveal important details in the extractive distillation section of the process. COSMO‐SAC predictions underpredict activity coefficient of aliphatics in [EMIM][NTf2] by a large margin, which leads to lower aromatic‐aliphatic selectivities and overprediction of process energy requirements. It is significant enough to lead to the conclusion of process infeasibility in the case of [EMIM][NTf2].

Efficient separation of phenols from coal tar with aqueous solution of amines by liquid-liquid extraction

Abstract In this paper, a method of extracting phenols from coal tar by amines aqueous solution was proposed. The effects of various amines on the extraction properties of phenols in coal tar were researched from the views of molecular structure. The parameters such as molar ratio, concentration, extraction time and temperature for the extraction of coal tar by the monoethanolamine and ethylenediamine aqueous solution were examined. The results show that the organic amine with more amino groups, hydroxyl structure and strong electronegativity exhibited better extraction performance. Under the optimal conditions, the extraction yields of phenols in coal tar by the monoethanolamine or ethylenediamine aqueous solution are above 80%, and the recovery yields of amines reach 99%. Furthermore, the probable geometries of complexes formed by the combination of phenols and organic amines were calculated by density function theory. In addition, several thermodynamic models were evaluated through comparing the relative deviation of simulation results by ASPEN PLUS to the experimental ones, which provide feasibility thermodynamic models for the simulation of extraction process. The present work affords a mild, efficient and green approach for the extraction of phenols from coal tar by an aqueous solution of amines in industry application.

Simulation of amber extraction processes from sandy and clay rocks with stope filling

Purpose. To develop a mathematical model for a system of amber extraction based upon physical cumulation and deflation effects under the conditions of turbulent flows. Methodology. Theoretical simulation of the extraction processes took into consideration use of a basic aggregate, converting processes, compounding processes, modification processes, aggregating processes, processes of rotation series development involving practices of design and operation of the available similar facilities, design solutions, and widespread unification of both components and assembly units. Analysis of the gained theoretical and practical experiences helped simulate processes of amber extraction from sandy and clay rocks with stope filling. Findings. Rock mass loosening by means of hydromonitor jets, operating tangentially in a casing while developing swirling pulp flows, has been simulated mathematically. A procedure to prepare filling material from mine tailing by means of a preparator, located within a settling pond, has been substantiated. The research, concerning mineral disintegration, has helped identify that the average value of the maximum deflector radius, shaped as a result of counter jetting action, is Rmax = 0.30.5 m; at the same time, the average value of the maximum radius of a hole, shaped resulting from helical jetting action around suction pipe, is Rmax = 0.3m. Originality. For the first time, a mathematical model to use cumulation and deflation effects for a mineral disintegration has been developed as well as for preparation of filling material from mine tailing. The model reflects twists of helical 6585 jetting action with the maximum 0.5 m deflector radius and development of turbulence improving stope filling efficiency. Practical value. The proposed procedure is the theoretical background to develop automated system of amber extraction from sandy and clay rocks, which will improve productive capacity of the mining process substantially.

Modelling of the monitoring and control system of extraction units with nuclear-safe tanks via use of capillary impulse lines with differential low-pressure gages

This paper focuses on the computer-aided simulation of extraction process in the cascade of reverse-flow centrifugal extractors with nuclear-safe tanks. The major objective of this work is to design an advanced control system for enhancement of extracting technology efficiency. The basis of the monitoring and control system is that the systems should be based on non-destructive measuring techniques. Two models of monitoring systems are being considered: the measuring system in nuclear-safe tanks where capillary impulse lines are used for measurement of differential pressure at various points in the process media, and model of spectrometric system. The density measurement in both presented systems is indirect. The experimental studying of monitoring spectrometric system have shown that the accuracy of experimental data less than 1 % in steady-state condition and more than 3 % in a dynamic one. The accuracy degradation is due to air bubbles presents in the solvent stream.

Screening solvents to extract phenol from aqueous solutions by the COSMO-SAC model and extraction process simulation

Solvent extraction is an energy-efficient process to treat phenolic effluents in the industry, and a key step in designing an industrial extraction process is to screen a proper extraction solvent with high extraction efficiency and good physical properties. In this work, COSMO-SAC model was employed to screen the most promising extractant from 40 organic solvents, including alkanes, arenes, ethers, esters and ketones. The screening was performed based on a comparison of selectivity and solvent power, which were derived from the activity coefficient at infinite dilution. Moreover, the σ-profiles of the solvents were used to analyze the interaction between solvents and phenol. Based on the results of screening, three ketones were selected for conducting LLE experiment, and all of them performed very well with high distribution coefficient and high selectivity. The NRTL and UNIQUAC models were successfully applied to correlate the experimental LLE data, with root mean square deviation less than 1.5%. The COSMO-SAC was also used to predict the tie-line data, showing quite good agreement with corresponding experimental data. Finally, the extraction process simulation was performed for the screened solvents. It showed that, the studied ketones are promising solvents for extracting phenol from wastewater. The extraction process treating an effluent with phenol concentration of 5000 ppm was simulated. High separation efficiency (the phenol concentration in the treated water < 10 ppm) can be reached with low stage number (e.g. 4) and solvent usage (e.g. extractant: wastewater = 1:25).

Modeling and simulation of solvent extraction processes for purifying rare earth metals with PC88A

A new simulation logic and thermodynamic equilibrium analysis algorithm combined with a new model simplification technique was developed to simulate the solvent extraction process for purifying rare earth metals from chloride solution with 2-ethylhexyl phosphonic acid mono-2-ethylhexyl ester (PC88A) as a solvent. The proposed model simplification method significantly reduces the number of the nonlinear equilibrium equations to be simultaneously solved to overcome the initial guess problem and obtain numerically stable convergence pattern in solving the equi- librium analysis problem and performing the rigorous simulation of the extraction process. A new equilibrium analysis algorithm on the basis of the simplified nonlinear equilibrium equations is also proposed to estimate the equilibrium concentrations by solving the rigorous first principle extraction model. Finally, a solvent extraction simulator is de- veloped to estimate all the concentrations of all the stages of the solvent extraction process by solving the equilibrium analysis problem at each stage in a sequential way. The proposed simulator doe not suffer from the initial guess problem and shows very robust convergence pattern without any numerical problems.

Hollow fiber-based liquid–liquid–liquid micro-extraction with osmosis: II. Application to quantification of endogenous gibberellins in rice plant

The phenomenon and benefits of osmosis in hollow fiber-based liquid–liquid–liquid micro-extraction (HF-LLLME) were theoretically discussed in part I of this study. In this work, HF-LLLME with osmosis was coupled with high performance liquid chromatography–triple quadrupole mass spectrometry (HPLC–triple quadrupole MS/MS) to analyze eight gibberellins (gibberellin A1, gibberellin A3, gibberellin A4, gibberellin A7, gibberellin A8, gibberellin A9, gibberellin A19 and gibberellin A20) in rice plant samples. According to the theory of HF-LLLME with osmosis, single factor experiments, orthogonal design experiments and mass transfer simulation of extraction process were carried out to select the optimal conditions. Cyclohexanol – n-octanol (1:3, v/v) was selected as organic membrane. Donor phase of 12mL was adjusted to pH 2 and 20% NaCl (w/v) was added. Acceptor phase with an initial volume of 20μL was the solution of 0.12molL−1 Na2CO3–NaHCO3 buffer (pH 9). Temperature was chosen to be 30°C and extraction time was selected to be 90min. Under optimized conditions, this method provided good linearity (r, 0.99552–0.99991) and low limits of detection (0.0016–0.061ngmL−1). Finally, this method was applied to the analysis of endogenous gibberellins from plant extract which was obtained with traditional solvent extraction of rice plant tissues, and the relative recoveries were from 62% to 166%.

Simulação do processo de desterpenação supercrítica do óleo essencial de laranja

The aim of this work is a supercritical fluid extraction process simulation with Aspen-Plus . Equipments used to simulate the process were selected according to the literature and involve two extraction vessels, two tanks, six heat exchangers, two separators and one pump, as well as suggested conditions to work out the selected process. Trial motivation came from the increasing interest in supercritical fluid extraction with carbon dioxide, a solvent with highly desirable features: non-toxicity, non-flammability, moderate critical pressure and low boiling points. The high costs related to this kind of process, with energy consumption representing the most expensive item, demands for rapid economic analysis. Aspen-Plus allows for calculating the involved energy amount in a fast and efficient way, despite the simulator models' limitations. The method may be extended to similar processes involving other products and operating conditions

Effect of bitumen composition and process water chemistry on model oilsands separation using a warm slurry extraction process simulation

Variability in ore composition and process parameters is known to affect bitumen recovery from natural oilsands. In this work, we extend our earlier studies with model oilsands (MOS) systems to investigate the effects caused by the presence of asphaltene and divalent cations on the interaction between bitumen and silica particles. The absence of both asphaltene and fines was found to have significant effects on bitumen recovery. With a typical oilsands, addition of small amounts of caustic improves recovery but overdosing causes a drastic loss of yield through bitumen emulsification. Without asphaltene and in the presence of fines, the typical drop in bitumen recovery above pH 10 did not occur, indicating that the source of emulsifying agents had been eliminated. With deasphalted bitumen, recovery in the absence of silica fines was very poor at all NaOH dosages. The strong, negative effect of divalent cations on “normal” bitumen recovery was almost completely eliminated when asphaltene was absent.

Effect of process water chemistry and particulate mineralogy on model oilsands separation using a warm slurry extraction process simulation

Variability in ore composition and process parameters is known to affect bitumen recovery from natural oilsands. In this work, we extend our earlier investigations with model oilsands systems (MOS) to determine the effects of calcium, magnesium and bicarbonate ion concentrations in the process water and their interactions with ‘active’ solids such as: kaolinite, montmorillonite and ultra-fine silica. Our results demonstrate that solids mineralogy and decreasing particle size produce negative outcomes on bitumen recovery related to concomitant effects on bitumen droplet size during flotation. In some cases, certain process water chemistries were found to restore recovery, but clay concentration was the key factor. Naturally acidic oilsands are known to give poor bitumen recoveries. An MOS prepared with connate water at pH 2 responded in the same way. Comparison with a typical oilsands showed no significant differences in middlings pH and the large, negative effect on bitumen recovery was not reversed by higher caustic loading during separation. This result may be caused by irreversible co-flocculation of bitumen and mineral particles during preparation of the MOS and may reflect similar behavior in comparable natural samples.

Analysis of methanol extraction from aqueous solution by n-hexane: Equilibrium diagrams as a function of temperature

This paper contains the results of a new experimental study of liquid–liquid equilibrium (LLE) as a function of temperature for the ternary mixture n-hexane + methanol + water under atmospheric conditions. The computed coexistence curves were very asymmetrical with respect to n-alkane + water composition at low operation temperature. A comparative analysis was performed by application of group contribution methods to predict the experimental equilibria behaviour of this ternary mixture. The experimental tie lines data were correlated to test consistency with the Othmer–Tobias equation. The obtained results point out the strong interaction by hydrogen bonds forming the so-called iceberg clusters of hydroxylated molecules at low concentration of n-hexane, a slight influence of temperature being observed. As a result of this intense interaction, sharp separations of n-hexane + methanol mixtures by extraction are possible at low temperature and small quantities of solvent. Extraction process simulation confirms n-hexane as an adequate medium for diluted methanol concentration.

Extraction Behavior of TRU Elements in the Nuclear Fuel Reprocessing

The extraction behaviors of uranium, plutonium and other nuclides in the fuel reprocessing have been investigated to study the capability of confining the radioactivity in the PUREX process. Reprocessing tests using spent fuel of 44GWd/t have been carried out in alpha-gamma cell equipped with reprocessing equipment in NUCEF(Nuclear Fuel Cycle Safety Engineering Research Facility). The reprocessing equipment consists of a dissolver, six mixer-settlers, off-gas treatment and aqueous waste treatment systems. The mixer-settlers were assigned to diluent washing, co-decontamination, FP scrub, U recovery and U/Pu partitioning steps. The concentration profiles of nitric acid, U, Pu, neptunium and americium were obtained under normal operation of PUREX flow sheet. The distribution fractions of the nuclides were calculated by the concentrations and the flow rates of organic and aqueous solutions. It was found that U and Pu were recovered from the spent fuel dissolver solution and were well separated from each other. About 10% of Np was distributed into the raffinate solution in the co-decontamination step. Almost ail of the Am migrated to the raffinate solution. The experimental results were used for the evaluation of the simulation code ESSCAR(Extraction process simulation code) developed for the safety analysis of reprocessing.

Modeling and simulation of a sulfolane extraction process

Modeling and simulation for a sulfolane extraction process were performed. The process investigated in the present work consists of two tray columns, one of which is used for extraction and the other one for washing. The modified θ-method was employed for the modeling of the process. The computation of the equilibrium state of a two-phase system is one of the key issues in the modeling and simulation of extraction processes. In the present work the UNIFAC method was used for the computation of related thermodynamic properties and equilibrium states. Results of simulations showed good agreement with actual plant operation data.

Extraction of cholesterol from dehydrated egg yolk with acetone: Determination of the practical phase equilibrium and simulation of the extraction process

The practical equilibrium conditions were determined for the extraction of cholesterol from dehydrated egg yolk using acetone as solvent. Under these conditions the equilibrium data were obtained. A computer program based on the equilibrium data and mass balance equations was developed for the simulation of a multistage countercurrent extraction process. The practical equilibrium conditions were: temperature 25 °C, stirring speed 100 rpm and contact time 15 min. The simulation allowed for the determination of the number of theoretical stages for a given residual cholesterol in the raffinate phase, and showed that modification of the operating conditions is possible to obtain a higher cholesterol yield.

Simulation of Extraction Process in Dual-Flow Countercurrent Extraction.

In the extractive purification of commercial glycyrrhizin (about 90% in purity) with dual-flow countercurrent extraction, the extractive recovery of an impurity in the sample was wrongly estimated by a reported calculation method. To investigate the cause, we simulated the extractive separation of the impurity from glycyrrhizin by dual-flow countercurrent extraction. If one used the reported calculation method, the extraction recoveries of the impurity into the organic phase were calculated as 40.6% or as 99.3%, on two different assumptions: (1) the distribution ratio of the impurity changed depending on its concentration, or (2) it varied with the concentration of glycyrrhizin in the extraction apparatus. The experimental results (99.1% recovery of the impurity in the organic phase) agreed with the calculation based on the latter assumption. With the calculation method, the distribution map of the components in the extraction column could be shown as well.

Extraction of zirconium(IV) from sulfuric acid solutions with amines and mathematical simulation of extraction processes

The knowledge of extraction equilibrium and its mathematical description is basic information necessary for the design of separation process and equipment. The comparison of the extraction of zirconium sulfate in aqueous sulfuric acid solutions with high-molecular amines-tri-n-laurylamine, tri-n-octylamine, di-n-nonylamine, Primene JMT, p-dodecylaniline—in organic solvents has been investigated by varying the concentration of acid, solvent and aqueous zirconium. Stoichiometric equations for the extraction of zirconium(IV) at various acid concentrations were suggested. Taking into account these extraction equilibria, the presence of the various species of zirconium in the aqueous phase with known thermodynamic stability constants, mass balance equations and equation for electroneutrality, a model capable of predicting equilibrium compositions of the phases with great reliability and without restrictions on the composition of the aqueous phases is suggested.