Transient Behavior and Control of Polyethylene Production in a Fluidized Bed Reactor Utilizing Population Balance Model.

In this study, a fluidized bed reactor for polyethylene production was employed using a dry mode approach, where the recycle stream may contain components of a nature that cannot be condensed through standard cooling. To analyze the behavior of the fluidized bed reactors during the copolymerization of ethylene with butene, a dynamic population balance model was employed. The study includes sensitivity analyses through computer simulations to examine the variations in reactor temperature, molecular weights, catalyst feed rate, and monomer/comonomer concentrations in the fluidized bed reactor. It is noteworthy that the reactor exhibits instability under normal operational conditions and is sensitive to changes in the catalyst feed rate and coolant temperature of the heat exchanger. The findings also highlight challenges such as temperature fluctuations above the polymer melting point. This underscores the importance of implementing a temperature control system to prevent issues like reactor shutdown due to elevated temperatures. Dynamic instabilities were observed under specific circumstances and were successfully controlled using Proportional Integral Derivative (PID) control strategies. The population balance model is essential for understanding the complexity of transient polymerization reactions. It enables researchers to simulate and optimize polymerization processes by utilizing the detailed kinetics of the reaction.

Modeling and Simulation of a Multizone Circulating Reactor for Polyethylene Production with Internal Cooling.

Polyolefins play a role in industries and are typically manufactured using two types of reactors: high-pressure tubular reactors and fluidized bed reactors. An innovative technology called the Multizone Circulating reactor (MZCR) has emerged, which introduces an innovative approach with interconnected polymerization zones creating a continuous loop of polymer flow. This study focuses on modeling and simulating ethylene gas phase polymerization within the MZCR in the presence of internal cooling to gain insights into its behavior. To achieve this, a comprehensive computational fluid dynamics (CFD) simulation was developed. It considered momentum, material, and energy balance aspects. The model equations were solved using the finite difference method in COMSOL Multiphysics version 6.1. The investigation primarily focused on studying the impact of incorporating a cooler into the riser section on the temperature profile within the reactor and ethylene conversion. The presence of this cooler resulted in a reduction in temperature change along the riser from approximately 8.0 °C to 4.0 °C. Moreover, it led to an increase of 7%, in ethylene single-pass conversion.

Efficient CO2 absorption through wet and falling film membrane contactors: insights from modeling and simulation.

The release of excessive carbon dioxide (CO2) into the atmosphere poses potential threats to the well-being of various species on Earth as it contributes to global working. Therefore, it is necessary to implement appropriate actions to moderate CO2 emissions. A hollow fiber membrane contactor is an emerging technology that combines the advantages of separation processes and chemical absorptions. This study investigates the efficacy of wet and falling film membrane contactors (FFMC) in enhancing CO2 absorption in a monoethanolamine (MEA) aqueous solution. By analyzing factors such as membrane surface area, gas flow rate, liquid inlet flow rates, gas-liquid contact time, and solvent loading, we examine the CO2 absorption process in both contactors. Our results reveal a clear advantage of FFMC, achieving an impressive 85% CO2 removal efficiency compared to 60% with wet membranes. We employ COMSOL Multiphysics 6.1 simulation software and finite element analysis to validate our findings, demonstrating a close agreement between predicted and experimental values, with an average relative error of approximately 4.3%. These findings highlight the significant promise of FFMC for applications in CO2 capture.

A Review of the CFD Modeling of Hydrogen Production in Catalytic Steam Reforming Reactors.

Global demand for alternative renewable energy sources is increasing due to the consumption of fossil fuels and the increase in greenhouse gas emissions. Hydrogen (H2) from biomass gasification is a green energy segment among the alternative options, as it is environmentally friendly, renewable, and sustainable. Accordingly, researchers focus on conducting experiments and modeling the reforming reactions in conventional and membrane reactors. The construction of computational fluid dynamics (CFD) models is an essential tool used by researchers to study the performance of reforming and membrane reactors for hydrogen production and the effect of operating parameters on the methane stream, improving processes for reforming untreated biogas in a catalyst-fixed bed and membrane reactors. This review article aims to provide a good CFD model overview of recent progress in catalyzing hydrogen production through various reactors, sustainable steam reforming systems, and carbon dioxide utilization. This article discusses some of the issues, challenges, and conceivable arrangements to aid the efficient generation of hydrogen from steam reforming catalytic reactions and membrane reactors of bioproducts and fossil fuels.

Modeling and Simulation of the Impact of Feed Gas Perturbation on CO2 Removal in a Polymeric Hollow Fiber Membrane.

A membrane contactor is a device that attains the transfer of gas/liquid or liquid/liquid mass without dispersion of one phase within another. Membrane contactor modules generally provide 30 times more surface area than can be achieved in traditional gas absorption towers and 500 times what can be obtained in liquid/liquid extraction columns. By contrast, membrane contactor design has limitations, as the presence of the membrane adds additional resistance to mass transfer compared with conventional solvent absorption systems. Increasing mass transfer in the gas and solvent phase boundary layers is necessary to reduce additional resistance. This study aims to increase the mass transfer in the gas phase layer without interfering with membrane structure by oscillating the velocity of the feed gas. Therefore, an unsteady state mathematical model was improved to consider feed gas oscillation. The model equation was solved using Comsol Multiphysics version 6.0. The simulation results reveal that the maximum CO2 removal rate was about 30% without oscillation, and at an oscillation frequency of 0.05 Hz, the CO2 percent removal was almost doubled.

CFD simulation of CO2 absorption by water-based TiO2 nanoparticles in a high pressure stirred vessel.

This work presents the modeling and simulation of CO2 capture by a water-based Titanium dioxide (TiO2) solid nanoparticle in a stirred high-pressure vessel at a constant temperature. Photocatalytic material such as TiO2 has excellent properties, namely it is nontoxic, inexpensive, and non-polluting. CFD model equations are developed and solved using COMSOL software package. The effect of the concentration of a solid nanoparticle in a water-based TiO2 solution, the size of TiO2 nanoparticles and the rate of mixing on the CO2 absorption rate is investigated. A 2D mathematical model considers both shuttle and micro-convention mechanisms. Results reveal that the best TiO2 concentration range is between 0.5 and 1 kg/m3 and that a particle size of 10 nm is more efficient than higher particle sizes. A moderate mixing rate maximizes the CO2 removal rate. The theoretical predictions are validated using lab experimental data and those in the available literature. Results confirm that the model calculations match with the experimental results. Accordingly, the model successfully predicts the experimental data and can be used for further studies.

Intensification of CO2 absorption using MDEA-based nanofluid in a hollow fibre membrane contactor.

Porous hollow fibres made of polyvinylidene fluoride were employed as membrane contactor for carbon dioxide (CO2) absorption in a gas-liquid mode with methyldiethanolamine (MDEA) based nanofluid absorbent. Both theoretical and experimental works were carried out in which a mechanistic model was developed that considers the mass transfer of components in all subdomains of the contactor module. Also, the model considers convectional mass transfer in shell and tube subdomains with the chemical reaction as well as Grazing and Brownian motion of nanoparticles effects. The predicted outputs of the developed model and simulations showed that the dispersion of CNT nanoparticles to MDEA-based solvent improves CO2 capture percentage compared to the pure solvent. In addition, the efficiency of CO2 capture for MDEA-based nanofluid was increased with rising MDEA content, liquid flow rate and membrane porosity. On the other hand, the enhancement of gas velocity and the membrane tortuosity led to reduced CO2 capture efficiency in the module. Moreover, it was revealed that the CNT nanoparticles effect on CO2 removal is higher in the presence of lower MDEA concentration (5%) in the solvent. The model was validated by comparing with the experimental data, and great agreement was obtained.

Modeling and Simulation of the Simultaneous Absorption/Stripping of CO2 with Potassium Glycinate Solution in Membrane Contactor.

Global warming is an environmental problem caused mainly by one of the most serious greenhouse gas, CO2 emissions. Subsequently, the capture of CO2 from flue gas and natural gas is essential. Aqueous potassium glycinate (PG) is a promising novelty solvent used in the CO2 capture compared to traditional solvents; simultaneous solvent regeneration is associated with the absorption step. In present work, a 2D mathematical model where radial and axial diffusion are considered is developed for the simultaneous absorption/stripping process. The model describes the CO2/PG absorption/stripping process in a solvent-gas membrane absorption process. Regeneration data of rich potassium glycinate solvent using a varied range of acid gas loading (mol CO2 per mol PG) were used to predict the reversible reaction rate constant. A comparison of simulation results and experimental data validated the accuracy of the model predictions. The stripping reaction rate constant of rich potassium glycinate was determined experimentally and found to be a function of temperature and PG concentration. Model predictions were in good agreement with the experimental data. The results reveal that the percent removal of CO2 is directly proportional to CO2 loading and solvent stripping temperature.

Chemical Absorption of CO2 Enhanced by Nanoparticles Using a Membrane Contactor: Modeling and Simulation.

In the present work, membrane resistance was estimated and analyzed, and the results showed that total membrane resistance increased sharply when membrane pores were wetted. For further study, a two-dimensional (2D) mathematical model was developed to predict the chemical absorption of CO2 in aqueous methyldiethanolamine (MDEA)-based carbon nanotubes (CNTs) in a hollow fiber membrane (HFM) contactor. The membrane was divided into wet and dry regions, and equations were developed and solved using finite element method in COSMOL. The results revealed that the existence of solid nanoparticles enhanced CO2 removal rate. The variables with more significant influence were liquid flow rate and concentration of nanoparticles. Furthermore, there was a good match between experimental and modeling results, with the modeling estimates almost coinciding with experimental data. Solvent enhanced by solid nanoparticles significantly improved the separation performance of the membrane contactor. There was around 20% increase in CO2 removal when 0.5 wt% CNT was added to 5 wt% aqueous MDEA.