Solubility Of Benzene Research Articles

Threading MOF membranes with polymer chains for superior benzene/cyclohexane separation

High performance membranes for benzene/cyclohexane separation are crucial. Metal–organic frameworks (MOFs), given by their high structural designability, are expected to provide satisfying membrane performance for this separation. In this study, polymer chains were threaded into the pores of MOF UiO-66, to reconstruct the structures of the membrane channels. The permeance of benzene and selectivity of benzene/cyclohexane were boosted simultaneously, compared with the bare UiO-66 membranes. The performance enhancement was rationalized since the solubility of benzene was improved meanwhile the diffusivity of cyclohexane dropped by virtue of the new adsorption sites of benzene and narrower membrane channels created by threading polymers. The as-synthesized polyvinyl alcohol (PVA)-threaded UiO-66 membranes exhibited a benzene permeance around 110 GPU and a benzene/cyclohexane selectivity around 30.

Optimizing front-end purification units for LNG production: A novel modelling approach for predicting solid-fluid equilibria applied to benzene solubility

Literature solid-fluid equilibrium data dealing with the solubility of benzene in 22 pure components and mixtures of interest for LNG production have been compared to values predicted by a thermodynamic package composed by a fluid-phase model and a solid-phase model (i) under the assumption that the solid phase is composed by pure benzene, and (ii) without further regression of parameters within both the fluid-phase and solid-phase models.The fluid-phase model is a reference equation of state explicit in the reduced Helmholtz Energy and based on the multi-fluid approximation for the calculation of thermodynamic properties of fluids and fluid mixtures, having the same functional form of the GERG-2008 equation of state, whereas the solid-phase model is a recently published Gibbs Energy equation of state for solid benzene.The predicted solubilities of solid benzene in the liquid phase of light components (methane + ethane, ethane, and propane) and heavy components (potential solid co-formers) are in a good agreement with literature values for almost all the systems under investigation.The two equations of state provide therefore a reliable model for the prediction of benzene freeze-out conditions in LNG mixtures, leading to front-end purification units of liquefied natural gas plants properly tailored to meet high plant availability (reducing maintenance operations and shutdown) while achieving financial targets (energy efficient purification processes, higher margins in LNG sale).

Influence of Anion Species on Liquid-Liquid Phase Separation in [EMIm+][X-]/Benzene Mixtures.

When a molar excess of benzene is mixed with an ionic liquid (IL), liquid-liquid phase separation may appear with a pure liquid phase almost composed of only benzene molecules separated from a liquid clathrate phase with benzene molecules dissolved in the IL. Our previous study (J. Phys. Chem. B, 124, 7929, 2020) on long-chain IL/benzene systems has concluded that benzene molecules, as planar nonpolar ones, majorly dissolve in the IL nonpolar domains consisting of cationic alkyl side chains. Nevertheless, the above mechanism is inadequate for explaining the experimental observations that benzene can also dissolve in IL systems with very short alkyl side chains. In this study, by molecular dynamics simulation of the [EMIm+][X-]/benzene mixtures with X- being Cl-, NO3-, PF6-, or Tf2N-, we still observe liquid-liquid phase separation of the pure benzene phase from a liquid clathrate (mixed IL/benzene) phase where benzene molecules are almost equally distributed near imidazolium rings through π-stacking or near alkyl side chains. The anion species strongly influences the solubility of benzene and the ratio of the two liquid phases via the alteration of anionic charge density, which tunes the strength of the electrostatic interaction among ions and thus the probability of benzene molecules interacting with both imidazolium rings and alkyl side chains: a larger anionic charge density corresponds to a lower solubility of benzene.

Bis(chlorido)tin(IV)meso‐substituted Porphyrins‐Characterization and Solubility

AbstractInvestigation of the solubility behavior of para‐substituted (H, Me, t‐Bu, n‐Bu) meso‐tetraarylporphyrins as well as meso‐tetraalkylporphyrins (Me, n‐Pr, n‐Bu) were performed. An increase of solubility in chloroform and benzene is detected according to the higher functionality in para position of the phenyl ring for meso‐tetraarylporphyrins or in meso position on meso‐tetraalkylporphyrins. Furthermore, the series of bis(chlorido)tin(IV) meso‐tetraarylporphyrin and bis(chlorido)tin(IV) meso‐tetraalkylporphyrin was investigated via UV/Vis spectroscopy, 119Sn‐NMR and single crystal X‐ray diffraction.

Potential Use of Olive Stone Residues in Particleboard Production

In this study, the effect of using olive stone residues (OSR) on some properties of particleboard was investigated. For this purpose, particle boards were manufactured from particles of white poplar (Populus Alba L.), which were partially substituted with OSR particles in amounts of 10 %, 20 % and 30 %. In addition, boards containing 30 % OSR, which had previously been chemically modified with NaOH solution, were produced. Phenol formaldehyde adhesive was used in the production of the boards. Chemical properties of wood and OSR particles (pH, alcohol benzene solubility, amount of ash), physico-mechanical properties (density, moisture content thickness swelling, modulus of rupture, modulus of elasticity and internal bond strength) and formaldehyde emission values of boards were determined. Water absorption and thickness swelling values were generally decreased with the increase in the use of OSR. When the effect of OSR usage on bending strength, modulus of elasticity, and perpendicular tensile strength values were examined, a decrease in the values was observed except for the 10 % OSR usage ratio. As a result of the application of alkali pretreatment, an increase in thickness swelling values was observed, while the values of mechanical properties increased. Scanning electron microscopy (SEM) analysis results showed more spaces between particles with an increasing OSR usage ratio. Formaldehyde emission values decreased with the increasing amount of OSR. Formaldehyde emission values increased slightly with the application of alkaline pretreatment. Based on the findings of this study, we can conclude that OSR can be used at particularly low ratio in particleboard production.

Cross-linked graphene oxide framework to enhance pervaporation separate property of waterborne polyurethane in food packaging materials

In order to improve separating aromatic/aliphatic group in adhesives or solvents of food packaging materials by pervaporation, an across linked graphene oxide (GO) framework were incorporated into waterborne polyurethane (WPU) membrane. The improved benzene solubility and expanded interlayer pathway of modified membrane have been gained based on three different reduced graphene oxide. Compared to P-phenylenediamine (PPD) and ethane-diamine (EDA) reducing agents, O-phenylenediamine (OPD) showed a relatively mild reducing ability and allowed GO to form a layer-to-layer lamella in the WPU matrix easily. When the dose of GO-OPD was 0.03%, the flux of GO-OPD/WPU membrane was 1.58 times of neat WPU or GO/WPU membranes, while the separation factor was slightly improved. The GO-OPD /WPU membrane also maintained good stability in the continuous pervaporation process of 2700 min.

Alternative Raw Materials and Blending of Pulp to Improve Strength Properties

In this paper, Characterization of different unconventional pulping raw materials was carried out. The studies was done in terms of their contents in ash content, cellulose, ethanol–benzene solubility, , hollocelulose, lignin and hot water and 1% soda solubility was carried out. The use of blending of long fibered pulps with short fibered pulp is an important aspect of paper making .Morphological and Chemical nature of hard and soft wood are in many ways different from each other. Soft wood lack certain factors such as drainage, wet strength and press rolls tendency of sticking. To overcome these issues blending plays an important role. Pulp blending can be done in three distinct ways chips blending, pulp blending before beating and pulp blending after beating. Before pulp beating the properties improves the physical strength marginally. But after beating at 1500 revolutions in a PFI helps to improve the strength properties and resulted in increased pulp yields column.

Photocatalytic hydroxylation of benzene to phenol with dioxygen using sodium decatungstate

A one-pot hydroxylation reaction, in which benzene is converted to phenol using oxygen under mild conditions has attracted attention as an environmentally benign alternative to the cumene method. Herein, we report on the photocatalytic hydroxylation of benzene to phenol with O2 by using sodium decatungstate (W10O324−) in air atmosphere (1 atm) and at low temperature (10 °C). W10O324− was active for the benzene hydroxylation process in pure water, which achieved a ca. 16–23% phenol yield with a ca. 61–70% selectivity within 60 min. The phenol yield and the selectivity were improved through the addition of acetic acid to the reaction solution. This enhancement was due to the improved benzene solubility and suppressed benzene vaporization and phenol overoxidation. The effect of the reaction conditions on the phenol formation was investigated in detail. Under anaerobic conditions, the reduced form of W10O324− was generated, with the simultaneous formation of phenol, whereas phenol was not formed in the reoxidation of the reduced decatungstate with O2. According to a kinetic isotopic effect, the C−H bond activation process in benzene hydroxylation was dominated by electron transfer (KIE, kH/kD = 1.0). The reaction mechanism for hydroxylation of benzene to phenol was also discussed.

Liquid-Liquid Equilibrium of Deep Eutectic Solvent-Aromatic-Aliphatic Ternary Systems: Experimental Study with COSMO Model Predictions

Common solvents used for aromatic extraction from aliphatics typically degrade into toxic compounds, while green alternatives perform poorly compared to the state-of-the-art solvents. Deep eutectic solvents (DES) are a novel solvent type made of hydrogen bond donors (HBD) and hydrogen bond acceptors (HBA). DES have been applied in various applications, including advanced separations. In this study, DES were studied experimentally and using the Conductor-like Screening Model (COSMO) to separate benzene from cyclohexane as model compounds for an aromatic:aliphatic system. Both equilibrium and kinetic studies were performed to determine the liquid liquid equilibrium (LLE) and mass transfer rate for the DES-based separation. Selected HBAs including tetrabutylammonium bromide (N4444Br), tetrahexylammonium bromide (N6666Br), choline chloride (ChCl), and methyltriphenylphosphonium bromide (METPB) were paired with HBDs including ethylene glycol (EG) and glycerol (Gly). COSMO was used, with adjustments to reflect DES specific interactions, to predict the liquid-liquid equilibrium (LLE). COSMO results showed that ChCl and N6666Br-based DES extracted too little benzene or too much cyclohexane, respectively, to be considered for experimental evaluation. Overall, the COSMO model predictions for LLE of EG-based DES were very accurate, with root-mean-square deviations (RMSD) below 1% for both N4444Br:EG and METPB:EG. The glycerol systems were less accurately modeled, with RMSD’s of 4% for N4444Br:Gly and 6% for METPB:Gly. The lower accuracy of glycerol system predictions fmay be due to limitations in COSMO for handling glycerol’s influence on polarizability in the DES that is not seen in EG-based DES. Mass transfer kinetics were determined experimentally for DES and the results were fit to a first order kinetics model. METPB:Gly had the highest mass transfer coefficient at 0.180 min−1, followed by N4444Br:EG at 0.143 min−1. N4444Br:Gly and METPB:EG had the lowest mass transfer coefficients at 0.096 min−1 and 0.084 min−1, respectively. It was found that mass transfer rate was not directly related to maximum benzene solubility, as N4444Br:EG and METPB:Gly had the highest and lowest benzene removal, respectively, but had similar mass transfer coefficients.

Experimental study of impurity freeze-out in ternary methane + ethane + benzene mixtures with applications to LNG production

The freeze-out of impurities in LNG production can pose significant operational risks and lead to costly blockage-induced plant shutdowns. Study of ternary and higher-order mixtures, which are more analogous to LNG, present the critical tests of thermodynamic models in terms of their utility and predictive accuracy. In this work, a visual CryoSolids apparatus was upgraded to allow analytical measurements of solvent composition in multi-component systems where a solid phase is present at equilibrium. The analytical system, which included a ROLSI sampling valve and capillary together with a gas chromatograph, was successfully commissioned and used to measure melting temperatures and solvent compositions of a ternary mixture containing methane, ethane, and benzene at temperatures down to 125 K and pressures up to 6 MPa. The effect on the solubility of benzene by adding ethane to the solvent was investigated by varying the ethane mole fraction from 0 to 0.96. The resulting temperature at which benzene melted into the liquid solvent decreased from 246 K at 4.7 MPa to 125 K at 5.7 MPa. The comparison of results with the ThermoFAST model showed that it could describe the new data with a deviation less than 1 K for ethane liquid phase mole fractions from 0 <xC2< 0.5, which increased to less than 4 K for 0.85 <xC2< 0.97. This result indicates that ThermoFAST satisfactorily represents SFE conditions in LNG mixtures of industrial relevance but needs improvement to cover wider ranges of composition.

Evaluation of Henry Constant for Gas / Gas Mixture in Pure and Solvent Mixture Using Simple Functional Mixing Rule

Some mixing rules were proposed with simple functional form to predict binary gas mixture solubility in pure solvent/pure gas solubility in binary solvent mixture. The experimental data employed were those of Tsuji et al. (2019) for equimolar binary gas mixture (nitrogen (N2) + oxygen (O2)) solubility in styrene at 303 K, and of Tsuji et al. (2005) for hydrogen (H2) solubility in equimolar mixture of benzene + cyclohexane at 303 K. These solubilities have a linear pressure dependence like Henry’s law at least up to 4.827 MPa. To predict gas solubilities, the mixing rules were proposed for Henry constant of gas mixtures in pure solvent and that of pure gas in solvent mixture just by using Henry constant of pure gas in pure solvent without any binary parameter. The function form was similar to that of van der Waals one fluid model, Q = ∑i ∑j zi zj Q ij for the mole ratio of constituent of gas or solvent mixture, zi. The Q = H and Q ij = (H i + H j )/2 show the best reproducibility for (N2 + O2) solubility in styrene with average absolute relative deviation (AARD) 0.667 %. Otherwise, the Q = 1/H and Q ij = (1/H i + 1/H j )/2 show the best reproducibility for H2 solubility in benzene + cyclohexane with AARD 5.605 %. The results were well described by a universality of physical properties and Lorentz-Berthelot theorem.

Sorption of Benzene, 2-Butanone, and Chloroform by Polybutadiene and its Copolymers with Polystyrene at 298.15 K Using a Quartz-Crystal Microbalance

Solubilities of benzene, 2-butanone, and chloroform in polybutadiene (PBD) and three PBD and polystyrene (PS) copolymers at 298.15 K are reported in this paper. Mass fraction data are collected usi...

Sorption of Benzene, Toluene, and Ethylbenzene by Poly(ethyl methacrylate) and Plasticized Poly(ethyl methacrylate) at 298.15 K Using a Quartz Crystal Microbalance

Solubilities of benzene, toluene, and ethylbenzene (BTEX compounds, together with xylene) in poly(ethyl methacrylate) (PEMA) and plasticized PEMA at 298.15 K were measured using a quartz crystal microbalance and are reported in the form of solvent activity versus solvent weight fraction. Two plasticizers, diisononyl cyclohexane-1,2-dicarboxylate (DINCH) and diisooctyl azelate (DIOA), were studied, each at three different concentration levels in the polymer. The presence of a plasticizer increases the solubility of all three compounds. Data were interpreted using a pseudobinary Flory–Huggins model in which the plasticized polymer is considered to be a single pseudocomponent.

Polymerization kinetics and control of the components of a mesophase pitch

It is important to increase the content of pyridine soluble in mesophase pitch to improve its spinnability. A naphthalene isotropic pitch was used as the raw material to prepare mesophase pitch by polymerization. The components of the polymerized products were analyzed by solvent extraction with benzene and pyridine, and classified as benzene soluble (BS), pyridine insoluble (PI) and benzene insoluble but pyridine soluble (BI-PS). The effects of polymerization temperature, time and the components of the raw material on the distribution of the components and optical texture of the mesophase pitch were investigated. The reaction kinetic constants were calculated assuming a consecutive reaction from BS to BI-PS, then to PI. Results show that a mesophase pitch with a relatively uniform distribution of components is obtained after reaction at 430 °C for 20 h from an isotropic pitch pre-polymerized at 400 °C for 10 h. The mesophase pitch synthesis reaction has a significant auto-acceleration effect in that the reaction rate constant of a heavy component is larger than a light one. The reaction rate becomes faster and faster as the molecular weight of the pitch increases in the latter stage of the synthesis reaction. Therefore, the initial component of raw pitch, reaction temperature and time have a decisive influence on the distribution of components in the mesophase pitch.

Molecular Design and Structure-Property Investigation of n-Dodecylbenzyloxy Ethoxylates.

Nonylphenol ethoxylates (NPEOn) exhibit outstanding application performances, especially in stabilizing silicone oil emulsions, but have been globally banned or use-restricted for serious ecological toxicity. A homologous series of nonionic surfactants, n-dodecylbenzyloxy ethoxylates (DBEOn), are molecularly designed and synthesized as alternatives to NPEOn, where the phenolic group of NPEOn was replaced by a benzyloxy group to counteract the harmful characteristics of NPEOn, while retaining the benefits. Based on computational studies, we propose a hypothesis that has a conjugation reduction effect (CRE) of DBEOn relative to NPEOn on the surfactant structure and properties that solves the biodegradation problem while maintaining the outstanding emulsifying capacity of NPEOn. A 7-day activated sludge assessment shows that DBEO8, a representative member of DBEOn, is almost 100% biodegradable and that the poor biodegradability of NPEOn may be improved by maintaining the vital benzene ring in DBEOn molecules, because the oxygen atom of the benzyloxy group is separated from the smaller conjugation system of DBEOn. Compared to NPEO10, DBEO8 has a similar cloud point but exhibits higher benzene solubilization and considerably higher emulsion stabilities for mineral oil, biomass oil, and especially silicone oil; this outcome is ascribed to a probable random coil configuration of PEO caused by the CRE of DBEOn. Therefore, molecular design produces DBEOn with both excellent biodegradability and outstanding application performances, especially in terms of excellent emulsion stabilities of various oils, as predicted by the CRE hypothesis, thereby serving as an effective alternative to NPEOn.

Solid-fluid equilibrium measurements of benzene in methane and implications for freeze-out at LNG conditions

Information about the solubility of benzene in light hydrocarbons is particularly important for the prediction of freeze-out risk in LNG production. Engineering models developed to predict this risk need to be tested against high quality experimental data covering a range of conditions to assess their validity. A visual high pressure sapphire cell, housed in a specialized cryogenic environmental chamber, was employed to measure the melting temperature of methane + benzene binary systems at temperatures from 120 K, pressures up to 22 MPa, and benzene concentrations ranging from 120 to 1012 parts per million (ppm) by mole. The results obtained were compared with literature data and the predictions of the thermodynamic model implemented in the software package ThermoFAST. These comparisons reveal that the literature data are in fact consistent with each other, and with the measurements and predictions made in this work, within their experimental scatter. ThermoFAST was able to represent the melting temperatures obtained for benzene concentrations of 1012 and 199 ppm with r.m.s deviations of 0.7 and 3.4 K, respectively. At 120 ppm and 6.3 MPa, the measured solid-liquid equilibrium (SLE) temperature deviated from the ThermoFAST prediction by less than 2 K. However, at the higher temperature conditions representative of solid vapour equilibrium (SVE), the data measured for mixtures with concentrations at 199 and 750 ppm benzene deviated from the model predictions by up to 5 K.

Insight into papermaking characteristics of D0EPD1-bleached soda, soda-AQ and kraft pulps of citronella grass (Cymbopogon winterianus Jowitt)

Grasses have emerged as potential alternative raw materials which can replace wood for pulp and paper products. Various species of grasses have been explored previously for pulp and paper production. This study is aimed to investigate pulp and papermaking characteristics of a grass species namely Cymbopogon winterianus Jowitt which is commonly known as citronella grass. This grass was subjected to proximate chemical characterisation; fibre morphology analysis; soda, soda-AQ (soda-anthraquinone), and kraft pulping; elemental chlorine free bleaching using D0EPD1 (D = ClO2 in acidic medium; EP = alkaline extraction with addition of H2O2; 0 and 1 = initial and final stage) sequence; and evaluation of physical strength properties of paper hand sheets. The pulp and paper hand sheets were also examined through SEM (scanning electron microscope) and FTIR (Fourier-transform infrared) spectroscopy to observe the structural and functional group variations. The proximate chemical analysis of citronella grass was found superior in terms of α-cellulose (38.10%), pentosans (22.30%) and alkali solubility (28.20%) while inferior in terms of ash (8.20%), lignin (25.10%) and alcohol benzene solubility (6.31%) with respect to some other grass species used for pulp and papermaking. Fibre length (0.69–0.74 mm) and fibre width (13.8–15.1 μm) were also comparable to other grass species. Brown pulp characteristics such as screened yield (44.67%), brightness (~24 %ISO) and kappa number (~20) revealed superiority of soda-AQ pulping among all the pulping processes while the kraft pulp exhibited the highest brightness (83.05 %ISO) and intrinsic viscosity (17.6 cP) after D0EPD1 bleaching. Tear index, tensile index and burst index of paper hand sheets obtained from bleaching of soda-AQ and kraft pulps were almost similar but higher to that of bleached soda pulp. The citronella grass was found suitable for producing writing and printing grade paper based on processes and optimised parameters described in this study.

Synthesis and characterization of gemini ester surfactant and its application in efficient fabric softening

Cationic surfactants with ester groups are considered as an important class of hydrolyzable and biodegradable materials utilized in multiple fields. In this work, a new type of gemini cationic surfactant containing two ester groups, N1,N1,N4,N4-tetramethyl-N1,N4-bis(2-(hexadecanoyloxy)ethyl)butane-1,4-diammonium bromide (TBDB), an 18-4-18 type gemini surfactant, has been successfully synthesized in a three-step reaction from natural palmitic acid, thionyl chloride, N,N-dimethylethanolamine and 1,4-dibromobutane. The maximum yield reaches about 94% under the optimum reaction conditions. The structures of the final product were characterized by FT-IR, 1H NMR and mass spectra. The critical micelle concentration (CMC) and surface tension of its aqueous solution are ~3.09 × 10−5 M and 38.4 mN/m at 25 °C, respectively, and the gemini ester surfactant shows high benzene solubilization capacity. When treating cotton fabric, it can effectively retain the whiteness and surface hydrophilicity of the fabric while exhibiting a higher fabric-softening ability than the corresponding monomeric surfactants, due to its more efficient adsorption onto the fabric surface. The discovery suggests that this kind gemini ester surfactant is promising with potential applications in the fields of surfactants and coatings.

Thermodynamic study of phase transition behavior between the isotropic phase and mesophase using benzene-soluble and benzene-insoluble as phase indicators

Preparing carbonaceous mesophase pitch precursor by thermal treatment of isotropic pitch is a feasible and effective method for fabricating various high-performance carbon materials including high-modulus carbon fiber, needle coke, graphite, etc. However, the industrial production of qualified mesophase with desirable properties needs to be further improved in many regions. Especially, during pitch preparation, the transformation from isotropic phase to mesophase is difficult to be controlled since it significantly depends on reaction conditions, raw material and preparation parameters. While the optimization of the production conditions of mesophase with special properties requires time-consuming and costly exploratory experiments due to the lack of the fundamental understanding in the transformation behavior from isotropic phase to mesophase. This paper elaborates a fundamental work seeking a more suitable and accurate thermodynamic model and a parameter estimation method to describe phase transition behavior using benzene-soluble (BS) and benzene-insoluble (BI) fractions of coal tar-based pitch as indicators of isotropic phase and mesophase, respectively. The combined equation of simplified statistical associating fluid theory with anisotropic pseudopotential (SSAFT-APP) is used to describe phase transition, and the related parameters of each equation are estimated based on average molecular weight and carbon aromaticity of BS and BI fractions, respectively. The mesophase content of various samples prepared by annealing the mixtures of BS and BI fractions under different mixing ratios are used to calibrate the computed data. The results show that BS fraction has a restraining effect on the formation of mesophase when BI fraction is lower than 60 wt%, while this effect becomes weak with a higher content of BI fraction. A phase diagram is proposed by substituting the estimated parameters in SSAFT-APP equation with experimental data. Mesophase is able to be generated when the adding amount of BI fraction is increased to 12 wt%, and 100% mesophase could be obtained when the ratio of BI fraction is higher than 94 wt%. This work is expected to shed light on the phase transition behavior between isotropic phase and mesophase during pitch preparation from coal tar. In addition, based on the thermodynamic study optimizing preparation conditions and a novel method for obtaining the products with an optimal proportion between isotropic phase and mesophase is proposed.

Simulações da migração de plumas dissolvidas de compostos BTEX geradas por LNAPL trapeado

O vazamento acidental de hidrocarbonetos é um cenário comum de contaminação subsuperficial. Uma vez liberado, o hidrocarboneto migra até atingir as vizinhanças da zona saturada, onde se acumula. Em razão da flutuação do nível d’água, o LNAPL (light non-aqueous phase) é redistribuído e trapeado na zona saturada. O LNAPL trapeado é responsável pela liberação de benzeno, tolueno, etilbenzeno e xilenos (BTEX) para a água, gerando plumas de fase dissolvida desses compostos. Essas plumas variam em dimensão e concentração ao longo do tempo, em resposta à depleção dos compostos BTEX na área-fonte. Para representar esta condição é proposta uma metodologia que combina o uso dos aplicativos MODFLOW, para simulações de fluxo, EXHAURIS, para simulação da transferência de massa e MT3DMS, para simulação do transporte de solutos. As simulações realizadas reproduziram o comportamento das plumas dissolvidas de benzeno e etilbenzeno geradas a partir da dissolução do querosene de aviação. Os resultados indicam que a pluma de benzeno se extingue dentro de um período de 10 anos, enquanto o etilbenzeno persiste por mais de 20 anos. Tal diferença está associada à menor fração molar e à maior solubilidade do benzeno em relação ao etilbenzeno. Os testes indicam que a metodologia proposta é uma alternativa promissora para previsões do comportamento de plumas dissolvidas ao longo do tempo, contemplando a condição de depleção da área-fonte.