Numerical simulation of micro-mixing in gas–liquid and solid–liquid stirred tanks with the coupled CFD-E-model

The coupled CFD-E-model for multiphase micro-mixing was developed,and used to predict the micro-mixing effects on the parallel competing chemical reactions in semi-batch gas–liquid and solid–liquid stirred tanks.Based on the multiphase macro-flow field,the key parameters of the micro-mixing E-model were obtained with solving the Reynolds-averaged transport equations of mixture fraction and its variance at low computational costs.Compared with experimental data,the multiphase numerical method shows the satisfactory predicting ability.For the gas–liquid system,the segregated reaction zone is mainly near the feed point,and shrinks to the exit of feed-pipe when the feed position is closer to the impeller.Besides,surface feed requires more time to completely exhaust the added H+solution than that of impeller region feed at the same operating condition.For the solid–liquid system,when the solid suspension cloud is formed at high solid holdups,the flow velocity in the clear liquid layer above the cloud is notably reduced and the reactions proceed slowly in this almost stagnant zone.Therefore,the segregation index in this case is larger than that in the dilute solid–liquid system.

Study on Reaction Types and Environment in Different Regions of Diesel Deep Hydrodesulfurization Reactor

In this work,the influence of reaction conditions on hydrocarbon distribution and product quality was tested to obtain the rule of variation with different residence time.A semi-experience and semi-mechanism dynamics model was established and modified.Based on the simulation results,the hydrogenation reactor is divided into five regions:the upper two regions are mainly saturated with most of tri-cyclic and bi-cyclic aromatics,and 90%of nitrides are converted,while all simple sulfide and some 4,6-DMDBT compounds undergo transformation reactions.In the lower three regions,the reaction rate of HDS and HDN slows down,while the rate of monocyclic aromatic saturation increases.The HDS,HDN and HDA rates of the optimized catalyst grading scheme are significantly increased.

Reaction Process of Heavy Hydrocarbons Hydrogenation in Ebullated Bed

The properties and structural changes of unconverted oil(UCO)obtained from ebullated bed hydrogenation at different residue conversion rates were analyzed to clarify the reaction process of heavy components.Meanwhile,the processing routes of UCO,delayed coking,and solvent deasphalting,were investigated.The results showed that with the increase of conversion,the impurity removal rate increased;meanwhile the contents of sulfur and metal in UCO decreased,while the contents of nitrogen and residual carbon increased,and the colloidal stability of UCO became worse.The structural parameters of UCO indicated that the change in molecular structure of heavy oil mainly covered the opening of cycloalkanes ring,hydrogenation saturation of aromatic rings and dealkylation reaction during hydrogenation in the ebullated bed;the aromatic structure was basically unchanged at high conversion,and was mainly due to the ring opening of cycloalkanes and the fracture reaction of alkyl side chains.The coking route of UCO showed that low sulfur petroleum coke with different grades could be prepared by adjusting the conversion in ebullated bed to produce UCOs with different properties.The coke generating coefficient and sulfur transfer coefficient in UCO coking process were higher than those in residue coking.The properties of deasphalted oil(DAO)of UCO were significantly improved and could be used as FCC or hydrocracking feedstock.The DAO yield of UCO feedstock at high conversion was higher,and its sulfur content was lower and CCR value was higher.

Diesel molecular composition and blending modeling based on SUBEM framework

Diesel molecular compositional model has important application for diesel quality prediction,blending,and molecular-level process model development.In this paper,different types of diesel molecular compositional and blending models were constructed based on the SU-BEM framework.More than 1500 representative molecules were selected to form the molecular structure library.The probability density functions(PDFs)combination was determined by experimental data and experience.A quadratic optimization strategy combining genetic algorithm with local optimization algorithm was adopted to improve the accuracy of the compositional model.The model results show good agreement with the experimental data.The diesel blending model was constructed at the molecular-level based on the above diesel compositional models.The properties of the blending model accord with the experimental regulations.It is proved that the compositional models and blending model constructed have high accuracy and strong prediction capability,and are applicable to the industrial process.

Oil droplet movement and micro-flow characteristics during interaction process between gas bubble and oil droplet in flotation

Flotation is an efficient pre-treatment technology for oily water.In this work,the interaction process between the moving oil droplet and the gas bubble was studied by high-speed camera and Bassset-Boussinesq-Oseen(BBO)theoretical model,and the experimental and simulation results of the oil droplet trajectory were compared.Moreover,the micro-particle image velocimetry system was utilized to observe the flow inside and outside of the moving oil droplet.The results show that the BBO model with the mobile bubble’s surface can reflect the velocity change trend of the oil droplet during the interaction process between the moving oil droplet and the gas bubble,but there are some significant differences between the experimental and simulation results.While the oil droplet is moving on the bubble’s surface,the velocity of the area near the contact point of oil droplet–gas bubble is less than that of the other areas inside the oil droplet.Meanwhile,the flow of water above the oil drop is more biased towards the gas bubble.

Acidity Evaluation of Industrially Dealuminated Y Zeolite via Methylcyclohexane Transformation

The catalytic transformation of methylcyclohexane as an accepted probe reaction to evaluate zeolitic acidity(concentration,strength,and accessibility)is employed to study the acidity and the reactivity of three commercial dealuminated Y zeolites(DAY)with different Si/Al ratios and meso/microporosities,with their properties analyzed by N_(2) adsorption/desorption,pyridine-IR,and hydroxyl-IR spectroscopy technologies.The global activity(conversion)is largely dependent on the concentration of the acid sites,and the activity of the protonic sites in terms of turnover frequency(TOF)reflects the accessibility of acid sites.The products of aromatics and isomers,and the yield of cracking products increase with the increase of concentration of strong protonic sites in zeolite micropores.Moreover,the decrease of aromatics with the reduction of the concentration of acid sites and the diffusion length within DAY zeolites are observed due to the decrease of the secondary reaction.For the same reason,it results in the increasing of C_(7)products and alkenes/alkanes ratios in the cracking products.The high i-C_(4)product selectivity is a unique reflection of the high percentage of very strong acid sites,which is characterized by the hydroxyl-IR band at 3600 cm^(-1).