Article
Engineering, Chemical
Guorong Wu, Yanggui Li, Muhammad Israr
Summary: This study focused on the suitable selection of a stiffness constant and a DEM time step in DEM simulations of fast fluidization. The results showed that DEM employing the EMMS-based drag force was able to enlarge the suitable range of relative time steps in a fast fluidization simulation of Type-A powders and successfully capture the typical macro flow structures and gas-solid backmixing.
Article
Engineering, Chemical
Peng Zhao, Ji Xu, Qi Chang, Wei Ge, Junwu Wang
Summary: The Euler-Lagrange method is powerful for studying dense gas-solid flow but is limited in simulating reactors with complex geometries. This study compared eight methods for mapping particle information to fluid field and proposed a kernel function method (NKFMII) for interphase information mapping. The study demonstrated the ability of local grid refinement and the effectiveness of the coupled PCM and NKFMII method.
Article
Engineering, Chemical
Junwu Wang, Peng Zhao, Bidan Zhao
Summary: The study has shown that the current drag correlations underestimate the effective interphase drag force, and the force exerted on a single particle varies significantly even in statistically homogeneous systems. Although the stochastic CFD-DEM method can provide minor improvements, it is still insufficient to bridge the gap between PR-DNS and CFD-DEM simulations, indicating the need for further research and development of a more accurate drag model.
CHEMICAL ENGINEERING SCIENCE
(2021)
Article
Mechanics
Sourabh Apte, Thibault Oujia, Keigo Matsuda, Benjamin Kadoch, Xiaoliang He, Kai Schneider
Summary: Direct numerical simulation is used to investigate the effects of turbulent flow on the transport, clustering, and deposition of fine particles in a face-centred cubic porous unit cell. The results show that particle clustering occurs at large volumes and is enhanced with increasing Stokes number.
JOURNAL OF FLUID MECHANICS
(2022)
Article
Agronomy
David Janke, Senthilathiban Swaminathan, Sabrina Hempel, Robert Kasper, Thomas Amon
Summary: This study investigated an open-source solver for simulating the transport and dispersion of particulate matter in agricultural applications. The solver showed good results in capturing turbulent flow in a street canyon, but had some deviations in particle concentration.
Article
Engineering, Chemical
C. J. McIntyre, R. W. Hughes, A. Macchi, P. Mehrani
Summary: The hydrodynamics of ilmenite particles in a high pressure cylindrical fluidized bed were modeled using the multiphase particle-in-cell approach. The model was validated against experimental data and showed good agreement for the minimum fluidization velocity at a close pack factor of 0.58. The model accurately represented the trends in bed expansion with fluidization ratio and pressure, but consistently underestimated the values. Bubble size distribution was also predicted by the model, with some deviation from experimental results. The importance of this study lies in its contribution to understanding the hydrodynamics of ilmenite particles in fluidized bed reactors.
Article
Engineering, Chemical
Kevin E. Buettner, Jennifer S. Curtis, Avik Sarkar
Summary: The lack of constitutive drag laws for non-spherical particles in fluid-particle flows highlights the need for dedicated laws to replace previous ad-hoc methods. Computational fluid dynamics simulations were used to explore important variables for future model development and propose a preliminary non-spherical drag model based on the results.
CHEMICAL ENGINEERING SCIENCE
(2021)
Article
Engineering, Chemical
Shijiao Li, Peng Zhao, Ji Xu, Li Zhang, Junwu Wang
Summary: This study investigates the fluidization of polydisperse particles in bubbling micro-fluidized beds using CFD-DEM. The study validates the method by comparing it with experimental measurements and then performs a detailed analysis of bed hydrodynamics. The results show that particle size distribution enhances fluidization quality and that significant axial segregation is observed only in the case of wide PSD. The study provides insights into the role of PSD in gas fluidization and the similarities and differences between micro and large fluidized beds.
CHEMICAL ENGINEERING SCIENCE
(2022)
Article
Mechanics
Jessica Sanchez-Vargas, Francisco J. Valdes-Parada, Mauricio A. Trujillo-Roldan, Didier Lasseux
Summary: A closed macroscopic model for quasi-steady, inertial, incompressible, two-phase generalised Newtonian flow in rigid and homogeneous porous media is derived by upscaling the pore-scale equations. The derived model includes macroscopic equations for mass and momentum balance as well as an expression for the macroscopic pressure difference between the two fluid phases. The predictions from the upscaled models are in excellent agreement with direct numerical simulations, confirming the validity of the derived macroscopic models.
JOURNAL OF FLUID MECHANICS
(2023)
Article
Energy & Fuels
Na Wei, Jun Pei, Jin Xue, Lin Jiang, Haitao Li, Wantong Sun, Yao Zhang
Summary: A mathematical model considering the effect of flow velocity on non-equilibrium multiphase flow with phase change was established to study the dynamic separation process of dissolved natural gas and the characteristics of downhole multiphase flow in underbalanced drilling. The results showed that pressure had a greater influence on solubility than temperature, and temperature had a greater influence than flow velocity. The dissolved gas in the wellbore separated earlier when considering the velocity. This research provides a better understanding of the phase change characteristics of downhole fluid and the changes in multiphase flow laws, which is important for reservoir protection and drilling safety.
Article
Thermodynamics
Ali Yousefi, Mehdi Niazi Ardekani, Francesco Picano, Luca Brandt
Summary: This study presents the heat transfer characteristics of particle suspensions under different particle concentrations and Reynolds numbers through interface-resolved simulations. The variation of heat transfer mechanisms is discussed from the perspective of particle motion regimes, showing that heat transfer in the viscous regime is mainly influenced by thermal diffusion, while the largest enhancement occurs in the particle-laden turbulence regime, and heat transfer enhancement in the particulate shear-thickening regime is influenced by mixing effects.
INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER
(2021)
Article
Materials Science, Multidisciplinary
Linmin Li, Weisen Xu, Xiaojun Li, Xun Sun, Guojun Yang, Zuchao Zhu
Summary: A two-way discrete-continuum transition algorithm is used in a multiscale model to simulate bubble injection, coalescence, and its interaction with the bath and slag layer in gas-stirring vessels. The interfaces are captured using the volume of fluid (VOF) and adaptive mesh refinement (AMR) methods. For unresolved microbubbles, a discrete phase model (DPM) is used, and the transition between DPM and VOF-AMR is achieved through introduced criteria and source terms. The predicted results agree well with experimental measurements, and the modeling framework accurately represents the behavior of bubbling flow and slag layer.
Article
Metallurgy & Metallurgical Engineering
Yao Xiao, Wei Sun, Jian Peng, Hai-sheng Han, Le Xie
Summary: Currently, fluidization techniques have been widely used in mineral processing to separate and recover coarse particles. The influence of hydrodynamic conditions and interphase interactions on this process has been investigated. The drag force was obtained using different drag models, and the models were evaluated based on experimental data. The results indicate that Gidaspow and Hulin-Gidaspow models have good agreement with experimental data, and a high prediction accuracy can be achieved with specific coefficients.
JOURNAL OF CENTRAL SOUTH UNIVERSITY
(2023)
Article
Mechanics
L. Chupin, T. Dubois, M. Phan, O. Roche
Summary: This study presents numerical simulations of the collapse of glass bead columns with different aspect ratios using a new two-phase bi-projection scheme, and compares the results with experiments. The granular flow is modeled using a viscoplastic rheology based on the mu(I)-rheology, resulting in a Drucker-Prager plasticity criterion. The study also investigates the sensitivity of results to resolution and basal friction coefficient.
JOURNAL OF NON-NEWTONIAN FLUID MECHANICS
(2021)
Article
Mechanics
Xuan Ruan, Sheng Chen, Shuiqing Li
Summary: The study investigates the early-stage agglomeration of identically charged microparticles in homogeneous isotropic turbulence through numerical simulations. It is found that as particle charge increases, the collision frequency changes, and the dominant collision mechanism shifts. In the presence of both Coulomb repulsion and adhesion, particles with moderate collision velocities are more likely to contribute to agglomerates formation.
JOURNAL OF FLUID MECHANICS
(2021)
Article
Engineering, Chemical
Soeren E. Lehmann, Moritz Buchholz, Alfred Jongsma, Fredrik Innings, Stefan Heinrich
Summary: A continuous fluidized bed drying model was implemented in the novel, open-source flowsheet simulation framework Dyssol, considering different particle properties and the impact of vibration on the drying process. Extensive validation of the model showed accurate prediction of particle properties and the validity of model assumptions.
Editorial Material
Engineering, Chemical
Alberto Di Renzo, Fabrizio Scala, Stefan Heinrich
Article
Materials Science, Paper & Wood
Baldur Schroeter, Velislava P. Yonkova, Monika Goslinska, Maike Orth, Swantje Pietsch, Pavel Gurikov, Irina Smirnova, Stefan Heinrich
Summary: The study successfully applied protective and homogeneous shellac coating layers to the surface of low-density cellulose aerogel particles using an innovative miniaturized spouted bed setup, while maintaining the aerogels' microstructure intact. Controlled release of vanillin from coated particles was achieved, demonstrating the effectiveness of the developed coating strategy.
Article
Engineering, Chemical
Patrick Levin, Vincent Meunier, Ulrich Kessler, Stefan Heinrich
Summary: This study investigated the influence of freezing process parameters on the formation of internal structure of frozen coffee granules and how it affects drying kinetics. Factors such as cooling temperature, scraper rotation speed, and temperature cycles were found to significantly impact ice crystal structure. The study also showed that factors like degree of supercooling, number of temperature cycles, and freezing rates can affect crystal size and drying kinetics.
Article
Engineering, Chemical
Patrick Levin, Moritz Buchholz, Vincent Meunier, Ulrich Kessler, Stefan Palzer, Stefan Heinrich
Summary: A mathematical model is proposed to predict the heat and mass transfer behavior for freeze-drying of porous frozen food particles to optimize the process. The results suggest a strong correlation between pore size and particle porosity with drying kinetics.
Article
Mathematics, Interdisciplinary Applications
Kolja Jarolin, Timo Dymala, Stefan Heinrich, Maksym Dosta
Summary: By extending the bonded particle method, it is possible to study and predict the behavior of a single pellet during conversion inside a fluidized bed gasification reactor in more detail. The implemented particle-based pyrolysis model enables accurate prediction of the pellet's kinetics and mechanical behavior.
COMPUTATIONAL PARTICLE MECHANICS
(2022)
Article
Environmental Sciences
Timo Dymala, Shen Wang, Kolja Jarolin, Tao Song, Laihong Shen, Maksym Dosta, Stefan Heinrich
Summary: In this study, biomass steam gasification using ilmenite as an oxygen carrier was numerically investigated using the MP-PIC method. The results showed good agreement between the simulated syngas compositions and experimental data, with the oxidation degree of the oxygen carrier significantly influencing the resulting syngas composition.
Article
Engineering, Chemical
Paul Kieckhefen, Swantje Pietsch-Braune, Stefan Heinrich
Summary: This work developed a method to predict the surface structures of particles produced by fluidized bed spray layering granulation using the CFD-DEM method, implemented a state-variable/event tracking approach to capture indirect quantifiers of the progression of structure-forming microprocesses, and successfully demonstrated the ability to capture the relationship between product properties and geometric features or process conditions.
Article
Engineering, Chemical
Vasyl Skorych, Moritz Buchholz, Maksym Dosta, Helene Katharina Baust, Marco Gleiss, Johannes Haus, Dominik Weis, Simon Hammerich, Gregor Kiedorf, Norbert Asprion, Hermann Nirschl, Frank Kleine Jaeger, Stefan Heinrich
Summary: This article presents a modeling framework for the dynamic flowsheet simulation of zeolite production, consisting of four stages. Various simulation and modeling techniques were used to develop models for each stage, aiming to improve the design and optimization of the process and enhance the properties of the final product.
Article
Biochemistry & Molecular Biology
Philipp Nicolas Depta, Maksym Dosta, Wolfgang Wenzel, Mariana Kozlowska, Stefan Heinrich
Summary: Macromolecular self-assembly is a fundamental phenomenon in material and life sciences with wide applications in technology. This study presents a data-driven modeling approach for capturing the assembly of virus-like particles (VLPs) and applies it to the formation of hepatitis B VLPs. The method allows for simulating assembly pathways and kinetics, providing molecular insights that are not attainable with other theoretical models.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2022)
Article
Chemistry, Physical
Tsz Tung Chan, Stefan Heinrich, Juergen Grabe, Maksym Dosta
Summary: An inventive microscale simulation approach using the discrete element method (DEM) and bonded-particle model (BPM) is applied to investigate the mechanics of frozen particle fluid systems (PFS). The study reveals that strain rate significantly affects the mechanical behavior and properties of the agglomerates, leading to the development of a new solid bond model for describing the rheology of the frozen particle fluid systems.
Article
Pharmacology & Pharmacy
Philipp Grohn, Stefan Heinrich, Sergiy Antonyuk
Summary: In the pharmaceutical industry, the coating of particles is a widely used technique to obtain desired surface modifications. Computational Fluid Dynamics (CFD) coupled with the Discrete Element Method (DEM) is used to investigate the wet particle dynamics in a fluidized bed rotor granulator (FBRG). The results show that the properties of the coating liquid, such as viscosity, liquid loading, and surface tension, significantly affect the particle behavior in the FBRG.
Article
Engineering, Chemical
Maike Orth, Sonja Rotter, Wasif Safdar, Suereyya Tasdemir, Swantje Pietsch-Braune, Stefan Heinrich, Alexander Duester
Summary: The main goal of designing crash absorber particles for filling the double-hull of ships is to achieve optimal mechanical performance with a low-density structure, while meeting additional requirements such as non-toxic and hydrophobic behavior. This study used a fluidized bed to coat Poraver((R)) glass particles with Candelilla wax and silicone to meet these specifications. Coating with wax resulted in a uniform coating, but the process was more challenging with silicone. Mechanical tests and structural investigations were conducted to evaluate the suitability of coated particles as a granular filling material and compare their performances with untreated Poraver((R)) particles. While no notable improvement in mechanical behavior was observed on the single-particle level, bulk tests showed promising results in terms of compressibility and abrasion resistance of coated particles compared to untreated ones.
Article
Multidisciplinary Sciences
Ashok Das, Jayanta Paul, Stefan Heinrich, Jitendra Kumar
Summary: This paper discusses the development and analysis of schemes for numerically solving the multi-dimensional nonlinear collisional fragmentation model. Two numerical techniques based on the finite volume discretization method are presented. It is shown that the proposed schemes are consistent with the hypervolume conservation property and one of them also satisfies the number preservation property. Detailed mathematical discussions establish the convergence analysis and consistency of the multi-dimensional schemes under predefined restrictions on the kernel and initial data. The proposed schemes are shown to be second-order convergent. Finally, several numerical computations (one-, two- and three-dimensional fragmentation) are performed to validate the numerical schemes.
PROCEEDINGS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES
(2023)
Article
Engineering, Electrical & Electronic
Carine Lourenco Alves, Vasyl Skorych, Agenor De Noni Jr, Dachamir Hotza, Sergio Yesid Gomez Gonzalez, Stefan Heinrich
Summary: Porcelain tile manufacturing is an energy-intensive industry seeking to enhance productivity, reduce costs, and minimize CO2 emissions while maintaining product quality for competitiveness. Alternative processing parameters were proposed based on simulation-based process optimization to optimize the entire manufacturing sequence. The approach demonstrated the potential for digitalization and the establishment of digital twins for in-line process control.
Article
Engineering, Chemical
Qing Han, Mengqing Shi, Linkai Han, Di Liu, Mingwei Tong, Yuxin Xie, Zhonghua Xiang
Summary: Developing highly efficient bifunctional oxygen electrocatalysts is crucial for zinc-air flow batteries. Metal-organic frameworks (MOFs) and covalent organic polymers (COPs) have emerged as promising alternatives due to their designable and controllable atomic-level structures. However, their catalytic performances are limited by conductivity and catalytic activity. In this study, nanosheet FeNi-MOF and iron phthalocyanine rich COP hybrid materials are assembled through the pi-pi stacking effect to create highly efficient bifunctional electrocatalysts. The resulting catalyst exhibits superior catalytic performance and stability, making it a promising candidate for zinc-air flow batteries.
CHEMICAL ENGINEERING SCIENCE
(2024)
Article
Engineering, Chemical
Daria Grigorash, Dmytro Mihrin, Rene Wugt Larsen, Erling H. Stenby, Wei Yan
Summary: The article introduces a new approach to describe the cross-association between molecules, allowing for the simulation of weakly bound molecular complexes with different conformations in mixtures. By incorporating this approach into the equation of state, accurate predictions of vapor-liquid equilibrium and liquid-liquid equilibrium can be made. The new method is validated through experiments on alcohol and acid mixtures, with the results compared to experimental data, demonstrating its accuracy and reliability.
CHEMICAL ENGINEERING SCIENCE
(2024)
Article
Engineering, Chemical
Mohammed Al-Sharabi, Daniel Markl, Vincenzino Vivacqua, Prince Bawuah, Natalie Maclean, Andrew P. E. York, Axel Zeitler
Summary: This study used terahertz pulsed imaging to investigate the transport process of different solvents into ceramic catalytic materials. The results showed that the heating rate of the samples influenced the water transport rate, while the viscosity of 1-octanol slowed down its transport.
CHEMICAL ENGINEERING SCIENCE
(2024)
Article
Engineering, Chemical
Chukwunonso Anyaoku, Sati Bhattacharya, Rajarathinam Parthasarathy
Summary: This study aimed to enhance understanding of settling dynamics in viscoelastic fluids by developing a semi-empirical correlation and a dimensionless ratio, which accurately described the characteristics of settling suspensions.
CHEMICAL ENGINEERING SCIENCE
(2024)
Article
Engineering, Chemical
Antti I. Koponen, Janika Viitala, Atsushi Tanaka, Baranivignesh Prakash, Olli-Ville Laukkanen, Ari Jasberg
Summary: This study focuses on the development of foam application chemicals for the paper and board industry. The research explores the rheology of the polyvinyl alcohol foam used in the process. Measurements were conducted to determine the foam viscosity and slip flow. The results suggest that slip flow contributes significantly to the total flow rate, and the obtained viscosity and slip models provide a solid foundation for industrial processes.
CHEMICAL ENGINEERING SCIENCE
(2024)
Article
Engineering, Chemical
Dalei Sun, Jinghui Cai, Yating Yang, Zhiwu Liang
Summary: In this study, Fe-doped alpha-Bi2O3 catalysts with different Fe/Bi molar ratios were synthesized and utilized in the carbonylation of isobutyl amine with CO2. The results showed that Fe doping significantly enhanced the catalytic abilities of alpha-Bi2O3.
CHEMICAL ENGINEERING SCIENCE
(2024)
Article
Engineering, Chemical
Yuan Tian, Xinxin Wang, Yanrong Liu, Wenping Hu
Summary: This paper predicts the solubility of nitrogen gas in ionic liquids (ILs) using two quantitative structure-property relationship (QSPR) models. By combining machine learning methods and ionic fragments contribution method, the accuracy and reliability of the prediction models are improved.
CHEMICAL ENGINEERING SCIENCE
(2024)
Article
Engineering, Chemical
Liwang Wang, Wei Liu, Pan Yang, Yulong Chang, Xiaoxu Duan, Lingyu Xiao, Yaoming Hu, Jiwei Wu, Liang Ma, Hualin Wang
Summary: This study investigates the effective phase interfacial area (ae) of hydro-jet cyclones at different injection angles. The results show that a 45 degrees upward incidence angle yields the most favorable flow field characteristics for efficient mass transfer. The significant enhancement in ae of the hydro-jet cyclones offers the advantage of reducing equipment volume and cost savings.
CHEMICAL ENGINEERING SCIENCE
(2024)
Article
Engineering, Chemical
Chuanjun Wu, Jiangzhi Chen, Jiyue Sun, I-Ming Chou, Shenghua Mei, Juezhi Lin, Lei Jiang
Summary: In this study, the solubility of H2S hydrate in water was measured using Raman spectroscopy. The results showed that the solubility increases with temperature under certain equilibrium conditions, and the solubility also depends on pressure and temperature under different equilibrium conditions. A thermodynamic model based on the van der Waals-Platteeuw theory was developed to predict the solubility, demonstrating its accuracy.
CHEMICAL ENGINEERING SCIENCE
(2024)
Article
Engineering, Chemical
Lorenzo Brivio, Serena Meini, Mattia Sponchioni, Davide Moscatelli
Summary: This study investigates the influence of three main parameters and proposes a kinetic model to predict the optimal operating conditions for high yield of dimethyl terephthalate (DMT) in the chemical recycling process of polyethylene terephthalate (PET).
CHEMICAL ENGINEERING SCIENCE
(2024)
Article
Engineering, Chemical
Hongju Lin, Fanhui Liao, Yanchang Chu, Mingyu Xie, Lun Pan, Yuanyuan Wang, Lijian Leng, Donghai Xu, Le Yang, Gangfeng Ouyang
Summary: A honeycomb NiCo/C-Na catalyst with a micro-meso-macroporous structure has been fabricated and shown to have significantly higher catalytic activity for the decarboxylation of fatty acids. It also proves to be efficient in upgrading sludge HTL bio-crude, resulting in a biofuel with decreased viscosity and increased density.
CHEMICAL ENGINEERING SCIENCE
(2024)
Article
Engineering, Chemical
Xiaoxian Li, Rui Li, Min Lin, Mingde Yang, Yulong Wu
Summary: A series of coated non-noble metal porous carbon catalysts were synthesized and applied to the aqueous-phase deoxygenation of algal bio-oil. One of the catalysts showed excellent deoxygenation selectivity and catalytic activity at 250 degrees C. The catalyst exhibited good hydrothermal stability and the reaction mechanism was proposed based on product analysis and active site analysis.
CHEMICAL ENGINEERING SCIENCE
(2024)
Article
Engineering, Chemical
M. V. Chudakova, M. V. Popov, P. A. Korovchenko, E. O. Pentsak, A. R. Latypova, P. B. Kurmashov, A. A. Pimenov, E. A. Tsilimbaeva, I. S. Levin, A. G. Bannov, A. V. Kleymenov
Summary: A series of catalysts with different potassium contents were prepared using solution combustion synthesis and characterized using various techniques. The results showed that the potassium content affected the phase composition and texture of the catalysts. The addition of a small amount of potassium resulted in a change in particle size distribution, leading to higher hydrogen yield. The Ni-1%K2O/Al2O3 catalyst exhibited the highest hydrogen yield at temperatures of 675 and 750 degrees Celsius.
CHEMICAL ENGINEERING SCIENCE
(2024)
Article
Engineering, Chemical
Aliakbar Roosta, Nima Rezaei
Summary: In this study, we modified the electrolyte cubic plus association equation of state (e-CPA EoS) and integrated it with two electrical conductivity models to estimate the electrical conductivity of 11 monovalent electrolyte solutions in water. The modified e-CPA model demonstrated better performance and the hybridization with electrical conductivity models resulted in two predictive models for estimating the electrical conduction of dilute and concentrated electrolyte solutions. These predictive models showed relative average percentage deviations (AARD) of 11.15% and 13.87% over wide ranges of temperature and electrolyte concentration.
CHEMICAL ENGINEERING SCIENCE
(2024)
Article
Engineering, Chemical
Haoren Niu, Jianzheng Wang, Qingzhu Jia, Qiang Wang, Jin Zhao, Fangyou Yan
Summary: A study developed two quantitative structure-property relationship models for the complexation performance of alpha- and beta-cyclodextrins and validated their stability and predictive ability through internal and external validation. The models showed robustness and satisfactory performance, as demonstrated by the experimental results and model validations. These models can effectively predict the binding constants between cyclodextrins and various types of molecules, providing valuable tools for cyclodextrin design.
CHEMICAL ENGINEERING SCIENCE
(2024)
