Article
Multidisciplinary Sciences
Muhammad Bilal, Hamna Arshad, Muhammad Ramzan, Zahir Shah, Poom Kumam
Summary: This research focuses on investigating the thermal performance and temperature distribution of a hybrid nanofluid in a horizontal channel through numerical simulations and experiments. The results demonstrate that the hybrid nanofluid exhibits a more significant thermal enhancement compared to a simple nanofluid, with single-wall nanotubes having a greater impact on temperature.
SCIENTIFIC REPORTS
(2021)
Article
Multidisciplinary Sciences
Navid Alipour, Bahram Jafari, Kh. Hosseinzadeh
Summary: To address the challenge of thermal performance and heat loss in energy conversion systems, this study simulated a trapezoidal cavity with a wavy top wall containing water/ethylene glycol GO-Al2O3 nanofluid using the Galerkin finite element method. The effects of physical parameters, such as porosity, thermal radiation, magnetic field angle, Rayleigh number, and Hartmann number, on thermal performance and fluid flow were investigated. The optimized values for these parameters were determined to be 1214.46, 2.86, 0.63, 0.24, and 59.35, respectively. By applying RSM and Taguchi integration, the highest average Nusselt number of 3.07 was achieved, indicating improved thermal performance.
SCIENTIFIC REPORTS
(2023)
Article
Thermodynamics
S. Mamatha Upadhya, R. L. V. Renuka Dev, C. S. K. Raju, Hafiz Muhammad Ali
Summary: The study analyzes the nonlinear convective flow and heat transfer characteristics between stationary nonporous and porous rotating disks utilizing graphene nanoparticles in a water and ethylene glycol base fluid. Numerical computations and appropriate transformations reveal the effects of improvements in temperature and heat generation variables on the flow characteristics.
JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY
(2021)
Article
Physics, Multidisciplinary
Abderrahmane Bairi
Summary: The thermophysical properties of nanofluid-saturated porous media were used to optimize the thermal design of a spherical electronic device in this study. Free convective heat transfer was quantified using the finite volume method and the SIMPLE algorithm, showing that it increases systematically with the Rayleigh number. The average Nusselt number also increases with the Rayleigh number according to a conventional power type law, with moderate influence of the volume fraction in the 2-10% range.
CHINESE JOURNAL OF PHYSICS
(2021)
Article
Thermodynamics
Fanghua Li, Feroz Ahmed Soomro, Junaid Imtiaz
Summary: The study investigates the free convection of hybrid nanomaterials through a permeable region, considering the effects of porosity, radiation, and different shapes of nanoparticles. Nonlinear partial differential equations and numerical modeling are used to analyze the impact of Darcy number, magnetic force, and other forces on the behavior of nanomaterials. Results show an increase in Nusselt number due to radiation, while a decrease is observed with higher Hartmann number and porosity effect.
INTERNATIONAL COMMUNICATIONS IN HEAT AND MASS TRANSFER
(2021)
Article
Thermodynamics
Hassan Waqas, Muzamil Fida, Dong Liu, Umair Manzoor, Metib Alghamdi, Taseer Muhammad
Summary: This research conducts a numerical investigation on the transport of mass and heat in a viscous MHD nanofluid flow through a channel with a porous wall, utilizing metallized nanoparticles. The findings have implications for bioengineering applications.
INTERNATIONAL COMMUNICATIONS IN HEAT AND MASS TRANSFER
(2022)
Article
Energy & Fuels
Kashif Ali, Sohail Ahmad, Kottakkaran Sooppy Nisar, Aftab Ahmed Faridi, Muhammad Ashraf
Summary: Hybrid nanoliquids exhibit improved physical strength, mechanical resistance, thermal conductivity, and chemical stability compared to individual nanoliquids. The study found that hybrid nanofluids have the potential to significantly increase shear stress levels, up to 57% in some cases. Caution must be exercised in using these fluids, particularly in applications where control over shear stress is necessary.
INTERNATIONAL JOURNAL OF ENERGY RESEARCH
(2021)
Article
Thermodynamics
Abderrahmane Bairi, Nacim Alilat
Summary: This study focuses on optimizing thermal regulation of a spherical electronic device used in naval navigation techniques by adjusting the thermal conductivity ratio, volume fraction, and Rayleigh number. The results show that the thermal conductivity ratio has a significant influence on the device's average surface temperature, while the volume fraction has a moderate impact within the considered range of Rayleigh number. The findings help enhance the reliability and thermal sizing design of the assembly.
JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY
(2021)
Article
Energy & Fuels
C. J. Ho, X. Y. Kung, Chi-Ming Lai
Summary: In this study, the researchers experimentally investigated the heat transfer enhancement using concurrent forced flows of phase change nanofluids and water. The results showed that correctly matching the concentration of the nanofluids, flow ratio, and heating power is essential for maximizing the heat transfer rate.
JOURNAL OF ENERGY STORAGE
(2022)
Article
Multidisciplinary Sciences
Zahir Shah, Anwar Saeed, Imran Khan, Mahmoud M. Selim, Ikramullah, Poom Kumam
Summary: The study investigates the magnetized non-Darcy flow of free convective hybrid nanofluid over a porous cylinder, numerically solved using the control volume finite element method. The results show that increasing medium porosity enhances thermal energy flow, while raising the magnetic field drastically increases the temperature of the inner wall.
Article
Thermodynamics
F. R. Siddiqui, C. Y. Tso, H. H. Qiu, Christopher Y. H. Chao, S. C. Fu
Summary: Droplet phase change plays a crucial role in achieving high heat transfer rates, and the copper-alumina hybrid nanofluid (CAHF) demonstrates better evaporation performance and heat transfer efficiency in thermal management.
INTERNATIONAL JOURNAL OF THERMAL SCIENCES
(2022)
Article
Education, Scientific Disciplines
Ahmed M. Sedki, S. M. Abo-Dahab, J. Bouslimi, K. H. Mahmoud
Summary: The study investigates the impact of mixed convection and thermal radiation on unsteady boundary layer heat transfer and nanofluid flow over a permeable moving surface via a porous medium, with consideration of heat generation. The governing equations are transformed and solved numerically, revealing the influence of thermophysical parameters analytically and graphically with comparisons to prior studies showing good agreement.
Review
Chemistry, Multidisciplinary
Hossam A. Nabwey, Taher Armaghani, Behzad Azizimehr, Ahmed M. Rashad, Ali J. Chamkha
Summary: This paper presents a review of recent advances in the application of nanofluids in heat transfer in porous materials. The top papers published between 2018 and 2020 were scrutinized to provide valuable insights. Various analytical methods used to describe flow and heat transfer in porous media were thoroughly reviewed, as well as the models used to simulate nanofluids. The reviewed research focused on natural convection, forced convection, and mixed convection heat transfer of nanofluids in porous media. Statistical analysis revealed important findings regarding the impact of parameters such as nanofluid type and flow domain geometry. Furthermore, the paper highlighted the most commonly studied nanofluid and geometry.
Article
Multidisciplinary Sciences
Hassan Waqas, Umar Farooq, Zahir Shah, Poom Kumam, Meshal Shutaywi
Summary: The use of nanofluid in cooling technology is increasing, with research focusing on the importance of bioconvection in nanotechnology and biological systems. The study covers fuel cell models, C-C heat and mass flux model, as well as the properties of activation energy and thermal conductivity. The research also explores the application of nanofluid in various fields and investigates flow-field parameters with numerical results and graphs.
SCIENTIFIC REPORTS
(2021)
Article
Thermodynamics
Somayeh Davoodabadi Farahani, Amir Davoodabadi Farahani, Ebrahim Hajian
Summary: This study aims to enhance the thermal behavior and hydraulic performance of a conventional microchannel heat sink (MCHS) through the use of porous material, phase change material (PCM), and nanofluid. The findings show that for a critical thickness of the porous substrate, the thermal performance reaches a minimum point. Increasing values of Darcy number, porosity coefficient, nanoparticle diameter, and PCM thickness lead to a decrease in the thermal performance of MCHS. A square geometry MCHS demonstrates superior thermal performance compared to other geometries, and the use of porous material, nanofluid, and PCM results in improved thermal behavior compared to a conventional microchannel.
INTERNATIONAL COMMUNICATIONS IN HEAT AND MASS TRANSFER
(2021)
Article
Thermodynamics
Yan Dong, Fuqiang Wang, Yaqi Zhang, Xuhang Shi, Aoyu Zhang, Yong Shuai
Summary: The emergence of bionics in engineering technology has provided new ideas for innovation, particularly in the fields of energy storage and heat transfer enhancement. By utilizing biomimetic oval structures for heat storage units with phase change material capsules, improvements in flow characteristics and thermal performance have been achieved. Experimental and numerical analyses indicate that oval shaped capsules have shorter melting times and higher Nusselt numbers compared to sphere capsules.
Article
Thermodynamics
Hao Zhang, Yong Shuai, Bachirou Guene Lougou, Boshu Jiang, Dazhi Yang, Qinghui Pan, Fuqiang Wang, Xing Huang
Summary: This study establishes a numerical model to find the optimal structural parameters of ceramic foam for solar thermochemistry applications. The results show that using ceramic foam with high porosity and large cell size can attain the best thermochemical characteristics.
Article
Chemistry, Physical
Xuhang Shi, Yimeng Xun, Yan Dong, Fuqiang Wang, Xinping Zhang, Ziming Cheng
Summary: This study proposes the idea of regulating the radiation field to match the solar thermochemical energy conversion on-demand, and introduces a biomimetic hierarchical porous structure as a solar thermochemical reactor to improve the conversion efficiency.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2022)
Article
Green & Sustainable Science & Technology
Y. R. Tao, G. H. Zhang, H. J. Xu
Summary: In this study, the adsorption and separation behaviors of several metal-organic frameworks (MOFs) for CO2 and N2 were simulated. It was found that MOF-5 had the highest saturation adsorption capacity for pure CO2, while Mg-MOF-74 showed the highest selectivity for CO2. The existence of coordinated unsaturated metal sites enhanced the CO2 adsorption capacity of MOFs.
SUSTAINABLE MATERIALS AND TECHNOLOGIES
(2022)
Article
Thermodynamics
Wang Fuqiang, Zhang Xinping, Dong Yan, Yi Hongliang, Xuhang Shi, Li Yang, Cheng Ziming
Summary: Porous medium with high porosity and large specific surface area is widely used in various fields, especially in solar energy conversion and high-temperature applications where radiative transfer plays a dominant role. Further research is needed to address the criteria for judging the limits of independent scattering in porous medium and to develop accurate high-temperature radiative property measurement systems.
APPLIED THERMAL ENGINEERING
(2022)
Article
Thermodynamics
Zhang Aoyu, Wang Fuqiang, Cheng Ziming, Liang Huaxu, Shi Xuhang
Summary: This study investigates the effects of non-uniform particle size distribution and dependent scattering on the radiative transfer in dispersed particulate media, and proposes a method that combines these two effects. The authors develop a multiple sphere T-matrix (MSTM) method and incorporate measured non-uniform particle size distribution to accurately calculate the radiative properties of dispersed particulate media.
INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER
(2022)
Article
Green & Sustainable Science & Technology
Yan Dong, Han Han, Fuqiang Wang, Yingjie Zhang, Ziming Cheng, Xuhang Shi, Yuying Yan
Summary: In this study, a PDRC coating with high solar reflectance and excellent cooling performance was prepared using the spectral band complementarity method. It has the potential for large-scale commercial production with a simple and low-cost manufacturing process.
Article
Energy & Fuels
Xuhang Shi, Fuqiang Wang, Bachirou Guene Lougou, Hao Zhang, Xiudong Wei, Dong Li, Jie Xu
Summary: This research proposes the use of a biomimetic bone porous structure as a catalyst carrier to achieve flow and energy matching in a thermochemical reactor. Experimental results show that optimizing flow and energy matching can improve energy storage efficiency and methane conversion rate.
JOURNAL OF ENERGY STORAGE
(2022)
Article
Thermodynamics
Hao Zhang, Xiaomi Zhang, Dazhi Yang, Yong Shuai, Bachirou Guene Lougou, Qinghui Pan, Fuqiang Wang
Summary: This study compares the thermochemical reaction characteristics of six common ferrites and four metal dopants through thermogravimetric analysis. A modified oxygen carrier with low reaction temperature requirements and excellent reaction performance is found, achieving dual optimization in terms of thermal efficiency and chemical efficiency. A foam-structured material with SiC as support is prepared and experimentally tested, showing optimal reaction performance with the highest CO yield of 439 mu mol/g and a peak CO yield of 7.0 mL min-1 g-1 and CO2 conversion of 45.5% at a reduction temperature of only 1100 degrees C.
ENERGY CONVERSION AND MANAGEMENT
(2023)
Article
Green & Sustainable Science & Technology
Xuhang Shi, Jintao Song, Ziming Cheng, Huaxu Liang, Yan Dong, Fuqiang Wang, Wenjing Zhang
Summary: To improve the energy conversion efficiency of solar to fuel, this study proposes a method of regulating radiative intensity to match energy conversion demand in solar methane dry reforming. The design of solar spots and biomimetic leaf hierarchical porous structures is optimized, resulting in a better radiative intensity field matching. Experimental and numerical studies show that by using this method, the methane conversion rate and solar thermochemical energy storage efficiency can be increased by 4.6% and 6.1%, respectively, achieving ideal synergy between real temperature field distribution and theoretical temperature requirement.
Article
Nanoscience & Nanotechnology
Xinping Zhang, Ziming Cheng, Dongling Yang, Yan Dong, Xuhang Shi, Huaxu Liang, Fuqiang Wang, Han Han, Weifeng Meng, Yong Shuai, Yuying Yan
Summary: Passive daytime radiative cooling (PDRC) is a zero-energy cooling technology that aims to reduce global fossil energy consumption and has gained significant interest. However, balancing the pursuit of ultrahigh dual-band optical properties and compatibility with multiple functional requirements remains a major challenge for PDRC.
Article
Energy & Fuels
Yan Dong, Yanan Zou, Xiang Li, Fuqiang Wang, Ziming Cheng, Weifeng Meng, Lingling Chen, Yang Xiang, Tong Wang, Yuying Yan
Summary: The idea of introducing a masking layer to prepare a water-based double-layer PDRC coating with high optical performance and thin thickness is proposed in this study. The PDRC coating achieved high solar reflectance and atmospheric transparent spectrum window emittance, with only 40% of the thickness and 60% of the cost compared to existing water-based PDRC coating. The coating demonstrated efficient cooling performance in large-scale outdoor applications and energy savings in container rooftops, providing compelling evidence for its ability to mitigate carbon emissions and address global climate change.
Article
Thermodynamics
Xue Chen, Jinxin Lyu, Chuang Sun, Xinlin Xia, Fuqiang Wang
Summary: A pore-scale flow and heat transfer model is developed to investigate the thermal and hydrodynamic performance of a volumetric solar receiver under highly concentrated irradiation. Three-dimensional simulations are conducted based on the Weaire-Phelan structure modeling an open-cell ceramic foam absorber. The study predicts and compares the energy conversion characteristics of two ceramic materials (SiC and Al2O3). Various control approaches for the optical property of the solar absorber are introduced and analyzed. Results show that SiC absorber outperforms Al2O3 absorber and the optical property of the absorber front region significantly affects overall performance. Decreasing absorptivity and spectral selective design have positive impacts, with spectral selective improvement showing the highest effectiveness. Additionally, adding a porous fused silica as the front absorber layer effectively shifts the high-temperature area inward with a slight decrement in efficiency, and honeycomb structure exhibits advantages over foam silica.
Article
Chemistry, Multidisciplinary
Yan Dong, Weifeng Meng, Fuqiang Wang, Han Han, Huaxu Liang, Xiang Li, Yanan Zou, Chun Yang, Zenghui Xu, Yuying Yan, Ziming Cheng
Summary: This study combines temperature-adaptive solar absorption and passive daytime radiative cooling (PDRC) technology to achieve warm in winter and cool in summer. The temperature-adaptive radiative cooling coating (TARCC) with color variability is designed and fabricated, showing high solar reflectance and atmospheric transmission window emittance in summer, and heat absorption in winter. It has the potential to save energy and increase suitable human hours.
Article
Optics
Aoyu Zhang, Ziming Cheng, Fuqiang Wang, Weixin Xie, Huaxu Liang
Summary: This article investigates the spectral radiative transfer between particles in dispersed particulate medium, highlighting the importance of considering the effects of host medium absorption and dependent scattering. Using metal nanoparticles embedded in the absorption layer for thin-film solar cells as an example, the authors propose a method that combines the localized surface plasmon resonance effect, dependent scattering, and host medium absorption to accurately calculate the radiative properties. Compared to conventional methods, this approach significantly reduces the maximum relative error and average error between experimental and calculated data.
OPTICS COMMUNICATIONS
(2023)
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)
