Article
Engineering, Chemical
Zi-Yu Wang, Hui Zhao, Wei-Feng Li, Jian-Liang Xu, Hai-Feng Liu
Summary: This study experimentally investigates the influence of shear-thickening behavior on the primary breakup process of suspension jets. The primary breakup morphologies of a cornstarch-water suspension are observed, and a unique hardened breakup mode is observed when the suspension exhibits discontinuous shear thickening. The study also establishes a dimensionless number N and promotes the primary breakup regime map based on N and the Weber number We.
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
Engineering, Multidisciplinary
Federico Zabaleta, Santiago Marquez Damian, Fabian A. Bombardelli
Summary: This study presents a novel theoretical/numerical model for simulating self-aerated flows using a Reynolds-Averaged Navier-Stokes (RANS) framework. The model incorporates a three-phase mixture approach and a mass transfer mechanism to account for the presence of air in the flow. It also modifies the Volume-of-Fluid algorithm to capture the increase in water depth due to bubbles. The proposed model shows satisfactory results in simulating self-aerated flows.
COMPUTER METHODS IN APPLIED MECHANICS AND ENGINEERING
(2023)
Article
Mechanics
S. Amir Bahrani, Souria Hamidouche, Masoud Moazzen, Khady Seck, Caroline Duc, Metin Muradoglu, James B. Grotberg, Francesco Romano
Summary: The study investigates the propagation and rupture of mucus plugs in human lungs through experimental injection of synthetic mucus in a pre-wetted capillary tube. The experiments demonstrate the significant impact of the viscoplasticity and viscoelasticity of mucus. A one-dimensional reduced-order model is proposed to explain the experimental evidence, taking into account capillarity and elastoviscoplasticity.
JOURNAL OF NON-NEWTONIAN FLUID MECHANICS
(2022)
Article
Thermodynamics
F. -J. Granados-Ortiz, M. Jimenez-Salas, J. Ortega-Casanova
Summary: This paper presents a numerical study on heat transfer from a heated flat plate to a shear-thinning/shear-thickening high-Reynolds impinging jet. The research focuses on the impact of various factors on heat transfer, and interestingly finds that shear-thinning fluid enhances surface-averaged heat transfer while shear-thickening fluid enhances cooling at the stagnation point. Surprisingly, there are no engineering applications nor studies using high-Reynolds non-Newtonian jet flows yet, so this novel numerical investigation aims to highlight the advantages and drawbacks of different configurations.
INTERNATIONAL JOURNAL OF THERMAL SCIENCES
(2021)
Article
Engineering, Mechanical
Aashna Raj, Chiranjit Sarkar, Manabendra Pathak
Summary: This study presents a numerical model to predict the flow behavior and temperature distribution of polytetrafluoroethylene thickened grease in a roller bearing configuration. A finite-element code with a laminar flow multiphase mixture model is used, along with heat transfer analysis and rheological characterization of different concentrations of the thickener. The results show how rotation affects thickener distribution and homogenization rate, and the resistance of the grease to temperature changes in the channel.
PROCEEDINGS OF THE INSTITUTION OF MECHANICAL ENGINEERS PART J-JOURNAL OF ENGINEERING TRIBOLOGY
(2022)
Article
Green & Sustainable Science & Technology
Jiguang Wang, Qian Zhang, Rui Jin, Lunxiang Zhang, Yang Meng, Haiyuan Yao, Lei Yang, Jiafei Zhao, Yongchen Song
Summary: This study investigates the interaction between hydrate growth and multiphase flow through experiments. The results reveal the growth process of hydrates in dynamic systems and the corresponding flow patterns. Additionally, the feasibility of using the differential pressure method to predict hydrate blockage is explored, demonstrating its effectiveness and potential for improving transport capacity.
JOURNAL OF CLEANER PRODUCTION
(2023)
Article
Engineering, Multidisciplinary
Mohammadreza Manami, Sadegh Seddighi, Ramis Orlu
Summary: Measurement of oil and gas two-phase flow with variable flow regimes can be achieved by studying flow patterns and transitions. This study presents a dynamic neural network method (NARX) for flow rate measurement, which can predict oil and gas flow with variable flow regimes more accurately compared to the multilayer perceptron model (MLP).
Article
Mathematics
Gerasim Vladimirovich Krivovichev
Summary: The paper compares different one-dimensional models of blood flow, taking into account the non-Newtonian property of blood. It analytically solves the simplified nonlinear problem for a semi-infinite vessel with constant properties and compares the solutions for different models. The effects of velocity profile flattening and hematocrit value on deviation from the Newtonian model are investigated.
Article
Engineering, Chemical
Xiangyang Zhao, Xuewen Cao, Hengguang Cao, Jun Zhang, Jianing Zhang, Wenshan Peng, Jiang Bian
Summary: In this study, a three-phase flow numerical model that couples the volume of fluid multiphase flow model and the discrete phase model was developed to predict erosion in gas-liquid-solid annular flow. The accuracy of the numerical model was validated through comparison with experimental data, and the phase distribution in the pipe was analyzed. The study revealed the cushion effect of the liquid film on particles and the erosion morphology generation at the elbow.
Article
Mathematics
Muhammad Rooman, Zahir Shah, Ebenezer Bonyah, Muhammad Asif Jan, Wejdan Deebani
Summary: This study investigates the steady heat transfer problem of an incompressible flow of Carreau fluid. Perturbation is used to analytically compute the significant quantities of interest, and the influence of emergent parameters is discussed through graphical results. The comparisons with existing data show good agreement.
JOURNAL OF MATHEMATICS
(2022)
Article
Physics, Multidisciplinary
Farhan Ahmed
Summary: The present study investigates the influence of constant pressure gradient on flow and heat transfer rate of Jeffrey fluid through concentric pipes annular sector duct. Simulation results show that increasing the ratio of relaxation to retardation times, lambda, can improve the friction factor under certain conditions, while the forced convective heat transfer rate remains almost constant in the absence of viscous dissipation. Additionally, the effect of viscous dissipation becomes favorable with the increase in Brinkman number, Br, on heat transfer rate for higher value of lambda at specific radius ratio and apex angle of the concentric pipes annular sector duct.
EUROPEAN PHYSICAL JOURNAL PLUS
(2021)
Editorial Material
Mechanics
Andre vander B. Lopes, Rajai S. Alassar
Summary: We provide comments on a series solutions presented in a paper on Newtonian Poiseuille flow in ducts of annular-sector cross-sections with Navier slip for the no-slip case.
EUROPEAN JOURNAL OF MECHANICS B-FLUIDS
(2022)
Article
Mechanics
A. M. Ribau, L. L. Ferras, M. L. Morgado, M. Rebelo, F. T. Pinho, A. M. Afonso
Summary: The annular flow of complex viscoelastic fluids, described by the generalised Phan-Thien-Tanner model, is studied. A semi-analytical solution is derived to better understand the behavior of this type of fluid in annular flows and improve the modeling of complex materials.
Article
Engineering, Chemical
Pranay P. Nagrani, Amy M. Marconnet, Ivan C. Christov
Summary: Gas-liquid flows in packed bed reactors are challenging to predict, especially under microgravity conditions where bubble and pulse flows are predominant. Through simulation and quantitative analysis, different pore-scale mechanisms and dynamic trade-offs between inertia, capillary, and buoyancy forces were observed.
Article
Thermodynamics
Xu Wen Wang, Jin Yao Ho, Kai Choong Leong, Teck Neng Wong
Summary: The appropriate arrangement of fin structures in the evaporator and condenser can enhance the heat transfer coefficient and suppress the increase of pressure drop. A new method using large-scale pin fins was explored to increase the heat transfer area in enhanced tubes. Shorter fin tubes exhibit the largest heat transfer coefficient for condensation, while metallic foam tubes show the largest heat transfer coefficient for boiling. Shorter fins have the highest efficiency indices based on evaluation criteria for heat transfer coefficient and pressure drop, as well as heat transfer coefficient and area, for both condensation and boiling.
HEAT TRANSFER ENGINEERING
(2022)
Article
Thermodynamics
Govind Harikumar, Lu Shen, Kai Wang, Swapnil Dubey, Fei Duan
Summary: A transient simulation of a hybrid thermoacoustic system is used to study temporal evolution of flow structures as well as the velocity and temperature variations within the channels of the stack. The simulation results show the presence of a residual vortex layer inside the channel, and the velocity and temperature variations are more prominent at resonance frequencies.
INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER
(2022)
Article
Thermodynamics
Lu Shen, Junheng Ren, Fei Duan
Summary: Experimental investigations reveal the linkage of nonuniform interfacial temperature and flow field in an ethanol droplet evaporating on a heated substrate before the final phase of drying. The Benard-Marangoni instability is suggested to be responsible for the regular thermal patterns formed at the evaporating interface. The evolution of deformed Benard-Marangoni convection cells in the sessile droplet is solely dependent on the instant contact angle.
INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER
(2022)
Article
Thermodynamics
Jakub Deja, Iman Dayyani, Martin Skote
Summary: Using arresting gear systems, the kinetic energy dissipated during commercial aircraft landings can be converted to electricity, improving energy efficiency and environmental sustainability. This paper presents a novel design that successfully recovers aircraft kinetic energy and is applicable to different aircraft sizes.
INTERNATIONAL JOURNAL OF GREEN ENERGY
(2023)
Article
Computer Science, Interdisciplinary Applications
Vadim Maltsev, Dean Yuan, Karl W. Jenkins, Martin Skote, Panagiotis Tsoutsanis
Summary: In this paper, a family of high-order non-oscillatory hybrid DG-FV schemes is developed for mixed-element unstructured meshes. By switching between a DG method and a FV method based on the CWENOZ scheme, the schemes can maintain the high accuracy of DG in smooth regions and the robustness of FV in regions with strong gradients. The CWENOZ variant used has the same accuracy as the DG variant and simplifies the implementation on unstructured meshes. The investigation of several parameters associated with the switching process is conducted, and the methods are successfully applied to solve the 2D and 3D Euler equations.
JOURNAL OF COMPUTATIONAL PHYSICS
(2023)
Article
Engineering, Manufacturing
Bing Lu, Hongliang Li, Mingyang Li, Teck Neng Wong, Shunzhi Qian
Summary: This study evaluates the effects of fluid catalytic cracking (FCC) ash on hydration, rheology, and compressive strength in high-performance high-speed 3D concrete printing (3DCP). The optimal substitution rate of FCC ash for cement is determined as 20 wt. %. A cylinder with 240 mm diameter and 500 mm height is successfully printed at a high speed of 100 mm/s using the optimal mixture. The optimal mixture also shows good leaching performance and reduces CO2 emission by 21.45% and materials' cost by 17.98% compared with the control.
ADDITIVE MANUFACTURING
(2023)
Article
Engineering, Aerospace
Saeed Mahjouri, Rasoul Shabani, Martin Skote
Summary: This paper presents a conceptual design of a new experimental setup based on a centrifugal mechanism to simulate the tire spin-up dynamics of aircraft. The proposed setup allows for adjustment of landing velocity, sink rate, and vertical ground load using low-power actuators, enabling the simulation of different types of aircraft in a limited laboratory space.
AIRCRAFT ENGINEERING AND AEROSPACE TECHNOLOGY
(2023)
Article
Thermodynamics
Jing Zhou, Baris Burak Kanbur, Duc Van Le, Rui Tan, Fei Duan
Summary: With the rapid development of information technology, the increase in the number and scale of data centers highlights the importance of energy-saving cooling. This study proposes multi-criteria assessments to analyze the comprehensive interactions of internal and external factors in air-cooled data centers. The impacts of refrigerant charge, evaporation pressure control limits, and hot aisle containment on increasing supply air temperature are compared and analyzed. Overall, increasing the supply air temperature leads to a decrease in power usage effectiveness, but the effects of refrigerant charge and evaporation pressure control vary depending on the thermoeconomic aspects.
Article
Thermodynamics
Li Yi, Fei Duan, Minqiang Pan
Summary: This paper proposes an immersion spray array cooling vapor chamber (ISVC) for high-power electronic devices and conducts experimental and numerical studies on thermal performance and flow pattern. It is shown that increasing the inlet temperature of the coolant facilitates the heat transfer performance and temperature uniformity of the ISVC within the safe working temperature range of electronic devices. The ISVC achieves enhanced heat transfer capacity and temperature uniformity with larger inlet flow rates, compared to existing integrated heat sink combined vapor chamber and array jet impingement. The operating limit heating power of the ISVC is increased by at least 68%.
INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER
(2023)
Article
Engineering, Marine
Yuqing Hou, Hui Li, Hong Chen, Shengnan Shen, Fei Duan, Wei Wei, Jiayue Wang, Yicang Huang, Xiawei Guan, Yinghao Liao
Summary: This study proposes a novel SEConv1D framework for predicting the hydrodynamic characteristics of unidentified underwater vehicles. The framework combines Conv1D and SENet, and uses a hydrodynamic dataset based on CFD that is verified by experiments. The results show that the framework can accurately predict the total resistance coefficient (Cd) of REMUS UUV and SUBOFF AFF-1, with a small error compared to experimental data and significant reductions in error compared to other popular network models.
Article
Chemistry, Physical
Jiaxing Song, Mengying Liu, Xiangchao Ma, Quanwei Tian, Jingkai Feng, Xiting Zhong, Fei Duan
Summary: The thermal decomposition behaviors of alpha (α) and beta (13) manganese dioxide (MnO2) nanorods are investigated. Differential scanning calorimeter and thermogravimetric analysis are used to study the thermal process difference. X-ray diffraction analysis and scanning electron microscope are employed to examine crystal structures and morphologies at different temperatures. The results show that α-MnO2 nanorods have better thermal resistance than 13-MnO2, which is important for the selection of thermal stable materials in electrochemistry industries and energy materials application.
JOURNAL OF ALLOYS AND COMPOUNDS
(2023)
Article
Mechanics
Zhonglu Lin, Dongfang Liang, Amneet Pal Singh Bhalla, Ahmed A. Sheikh Al-Shabab, Martin Skote, Wei Zheng, Yu Zhang
Summary: This study investigates the hydrodynamic mechanism of fish schools and finds that wavelength and Strouhal number have a significant impact on net thrust, while Reynolds number has a minor effect. Additionally, mirror-symmetric schooling can achieve a higher net thrust compared to individual swimmers.
Article
Biochemical Research Methods
Wenhan Zhao, Xiaopeng Shang, Boran Zhang, Dan Yuan, Binh Thi Thanh Nguyen, Wenshuai Wu, Jing Bo Zhang, Niancai Peng, Ai Qun Liu, Fei Duan, Lip Ket Chin
Summary: This study systematically investigates the flow transition process in the hydrodynamic focusing mechanism, revealing the transition from the squeezed focusing state to the over-squeezed anti-focusing state. The recovery rate of cell analysis can be maintained by limiting the Reynolds number below 30. These findings provide new insights into microfluidic cytometric analyses with various applications in food safety, water monitoring, and healthcare sectors.
Article
Chemistry, Physical
Yilin Liu, Jincai Su, Fei Duan, Xin Cui, Weichao Yan, Liwen Jin
Summary: This paper investigates the micro-mechanism of enhanced water vapor separation using graphene oxide-polyvinyl alcohol (GO-PVA) nanocomposite membranes. The study reveals that embedding GO into a PVA matrix increases glass transition temperature and fractional free volume, leading to enhanced gas diffusion in the membranes. The interaction between polymer chains and GO nanoparticles promotes water vapor adsorption and inhibits nitrogen adsorption in the membranes. These findings provide a basis for optimizing and synthesizing gas separation membranes.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2022)
Article
Physics, Fluids & Plasmas
Ahmed A. Sheikh Al-Shabab, Bojan Grenko, Dimitrios Vitlaris, Panagiotis Tsoutsanis, Antonios F. Antoniadis, Martin Skote
Summary: The flow field development through a simplified shock absorber orifice geometry was investigated using Large Eddy Simulation. The impact of orifice shape on flow characteristics was discussed, revealing the presence of flow disturbances and high turbulence intensity.
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)
