Article
Engineering, Chemical
Cheng-Hsiu Yu, Yu-Jeng Lin, David Shan-Hill Wong, Chau-Chyun Chen
Summary: This study presents a first-principle process simulation model for the chemical absorption of CO2 with MEA aqueous solutions using RPB. The model accurately simulates the phase and chemical equilibria, the heat and mass transfer, the reactions between MEA and CO2, and the RPB hydraulics. The reaction rate constant is found to be the controlling step with the greatest potential to enhance CO2 absorption performance in RPB.
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
(2022)
Article
Engineering, Chemical
K. P. Dhaneesh, Panneerselvam Ranganathan
Summary: This paper discusses the use of chemical absorption as an efficient technique for reducing CO2 emissions from power plants and introduces rotating packed beds (RPBs) as the suitable equipment for enhanced post-combustion carbon capture. The paper mainly includes discussions on the hydrodynamics and mass transfer characteristics of RPBs, as well as reviews on process modeling, computational fluid dynamics (CFD) simulation, and techno-economic analysis of CO2 capture using RPBs.
SEPARATION AND PURIFICATION TECHNOLOGY
(2022)
Article
Energy & Fuels
Tohid N.Borhani, Shervan Babamohammadi, Navid Khallaghi, Zhein Zhang
Summary: A rate-based non-equilibrium model was developed for CO2 absorption using a mixture of piperazine and potassium carbonate solution, incorporating mass and heat transfer processes between liquid and gas phases. The model considers physical equilibrium at the gas-liquid interface and chemical equilibrium in the liquid phase, with the mass transfer coefficient corrected by an enhancement factor to reflect chemical reactions. The model showed good agreement with experimental data and similar studies in the literature.
Article
Green & Sustainable Science & Technology
Farhad Ghadyanlou, Ahmad Azari, Ali Vatani
Summary: This research examines two approaches, rotating packed bed (RPB) and nanofluids, to enhance CO2 capture and maximize the experimental mass transfer coefficient. The study finds that Al2O3 nanofluid is more effective than other types, particularly the 40 nm size, in enhancing mass transfer.
Article
Engineering, Chemical
Pao Chi Chen, Ming-Wei Yang, Yan-Lin Lai
Summary: A lab-scale packed-bed stripper containing Dixon rings was used to study the effects of process variables on hydrodynamics and mass-transfer in a stripper using a mixed solvent loaded CO2. The study focused on the impact of liquid flow rate, reboiler temperature, and amine concentration, determining hydrodynamic and mass-transfer data using different models. Results showed correlations between hydrodynamics and mass-transfer, as well as comparisons with the Dixon rings manufacturer.
Article
Engineering, Chemical
Zhi-Yong Tang, Li-Hua Wang, Hai-Long Liao, Xin Zhang, Hai-Kui Zou, Yong Luo, Jian-Feng Chen
Summary: In this study, a rotating packed bed reactor was used to synthesize nitrosyl sulfuric acid (NSA) through a liquid-liquid reaction. The effects of rotational speed, reaction temperature, SO2/HNO3 mole ratio, and SO2 flow rate on the product quality and NSA yield were investigated. Results showed that the NSA yield increased by 9.5% with the increase in rotational speed from 100 r/min to 500 r/min. Compared to the conventional Venturi reactor with gas-liquid reaction, the RPB reactor showed significant reductions in reactor volume, equipment quantity, steam consumption, and electricity consumption.
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
(2023)
Review
Green & Sustainable Science & Technology
Evie Nessi, Athanasios I. Papadopoulos, Panos Seferlis
Summary: Large-scale CO2 abatement is crucial to prevent the environmental impacts of increased global CO2 emissions. Solvent-based absorption is a mature technology for post-combustion capture, but faces challenges in energy requirements and costs. Research efforts have led to improvements in energy efficiency, with potential for significant cost reductions through innovations like liquid-liquid phase-change solvents and rotating packed beds.
INTERNATIONAL JOURNAL OF GREENHOUSE GAS CONTROL
(2021)
Article
Engineering, Chemical
Jia-Lin Kang, Ching-Jung Chen, Chien-Hao Wu, David Shan-Hill Wong, Shi-Shang Jang, Chung-Sung Tan
Summary: This study presents a dynamic model for designing a rotating packed bed (RPB) that demonstrates the absorption of volatile organic compounds with circulation. The model's industrial applicability is validated using steady-state and dynamic RPB experimental data. The effects of operational variables such as rotational speed and gas to liquid ratio on the absorption efficiency are discussed. The findings highlight the superior mass-transfer efficiency of the RPB compared to conventional packed bed columns.
JOURNAL OF THE TAIWAN INSTITUTE OF CHEMICAL ENGINEERS
(2022)
Article
Engineering, Chemical
Yun Li, Houfang Lu, Yingying Liu, Kejing Wu, Yingming Zhu, Bin Liang
Summary: In this study, nano-SiO2 was used to enhance CO2 absorption and desorption in high-viscosity DBU-glycerol solution. The effects of ultrasonic time, solids loading, and particle/cluster size of SiO2 on absorbent properties and absorption performance were investigated. The addition of nano-SiO2 significantly improved the absorption and desorption processes, by decreasing the average particle size and increasing the interfacial area between gas and liquid. The results showed that nano-SiO2 can effectively enhance both absorption and desorption processes in high-viscosity solutions.
SEPARATION AND PURIFICATION TECHNOLOGY
(2023)
Article
Engineering, Environmental
Maite Michaud, Frederic Bornette, Eduard Rautu, Shahaji H. More, Miguel Leonardo Martinez Mendez, Loc Jierry, David Edouard
Summary: An elastic foam-bed reactor based on open-cell polymer foams was designed to enhance gas-liquid mass transfer of CO2 through compression/decompression cycles. The cycles, ensured by a crankshaft, require low additional electric power (<50 Watts) but significantly improve the mass transfer by one order of magnitude compared to fixed foam-bed reactor. Carbonic anhydrase-supported foam, using a supramolecular hydrogel for continuous applications, improves CO2 capture.
CHEMICAL ENGINEERING JOURNAL
(2023)
Article
Mechanics
Ahmed M. Alatyar, Abdallah S. Berrouk
Summary: The challenge of reducing the carbon footprint and development costs of chemical processes can be achieved through process intensification (PI). Different PI technologies have been investigated, with rotating packed bed (RPB) technology receiving attention for its potential in intensification. This study presents a complete derivation of dry pressure drop in RPB, incorporating the radial distribution of gas tangential velocity and viscous shear stress. Machine learning techniques are used to derive the inertial resistance coefficient, and an artificial neural network is implemented to relate it to gas flow rate and rotating speed. Results show that using a machine learning algorithm improves the prediction of RPB dry pressure drop compared to relying on empirical models.
Article
Energy & Fuels
Olajide Otitoju, Eni Oko, Meihong Wang
Summary: This paper provides detailed technical and economic assessments of a large-scale rotating packed bed (RPB) absorber operated with concentrated monoethanoamine (MEA). The results show that using 55 wt% MEA can achieve a volume reduction factor of 4-11 compared to packed bed (PB) absorbers, and the highest volume reduction factors of 5-13 times were achieved in RPB absorber operated with 75 wt% MEA. Economic assessments also indicate lower capital expenditures and CO2 capture cost for RPB absorbers.
Article
Thermodynamics
Timothy G. Myers, Abel Valverde, Maria Aguareles, Marc Calvo-Schwarzwalder, Francesc Font
Summary: This study develops a mathematical model for the erosion or leaching process of a solid material by a flowing fluid in a column. The model combines an advection-diffusion equation with a linear kinetic reaction to describe the mass transfer between the solid and fluid. Two specific cases are analyzed, and perturbation and numerical solutions are used to verify the model. The model is also validated using experimental data, showing excellent agreement in estimating the extracted fraction.
INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER
(2022)
Article
Engineering, Chemical
Hong Quan, Chunliang Shang, Liju Bai, Zihan Fan, Yufan Dong, Shoulong Dong, Stefania Moioli, Miyi Li, Paitoon Tontiwachwuthikul, Helei Liu
Summary: Mass transfer performance is crucial in evaluating solvents and designing and scaling up CO2 absorption processes. This study investigated the mass transfer process of CO2 absorption into blended DEEA-HMDA solution using a lab-scale absorption column packed with Sulzer DX structured packing under different operating conditions. The impact of these operating parameters on KGav was thoroughly analyzed and discussed. Additionally, the mass transfer mechanism of CO2 absorption into blended DEEA-HMDA solution was comprehensively explained, providing operational guidelines. Moreover, a new KGav model was developed based on observed experimental values, which outperformed the empirical Kohl-Risenfield-Astarita and Sheng models in terms of AAD prediction.
SEPARATION AND PURIFICATION TECHNOLOGY
(2023)
Article
Engineering, Environmental
Longyun Zheng, Bo Zhang, Yi Luo, Kai Guo, Zhengchao Wang, Kun Liu, Xutao Mei, Chunjiang Liu
Summary: In this study, the absorption process of CO2 bubbles in MEA solutions was investigated. It was found that the diameter of the CO2 bubble rapidly decreases and becomes stable in MEA solutions, and the terminal bubble diameter increases with the concentration of MEA. Based on this phenomenon, the absorption process was divided into two stages, mass transfer enhancement and mass transfer deterioration. A mass transfer dynamics model considering the effect of chemical reaction kinetics and reaction-induced bubble surface contamination was proposed and validated by experiment. The findings of this study are important for the design of gas-liquid reactive flow and multiphase reactors.
CHEMICAL ENGINEERING JOURNAL
(2023)
Article
Engineering, Chemical
Graeme Puxty, Robert Bennett, Will Conway, Mike Webster-Gardiner, Qi Yang, Pauline Pearson, Aaron Cottrell, Sanger Huang, Paul Feron, Alicia Reynolds, Vince Verheyen
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
(2020)
Article
Green & Sustainable Science & Technology
Xiaoqin Li, Pauline Pearson, Qi Yang, Graeme Puxty, Paul Feron, Dan Xiao
INTERNATIONAL JOURNAL OF GREENHOUSE GAS CONTROL
(2020)
Article
Chemistry, Analytical
Muhammad Saad Qureshi, Anja Oasmaa, Hanna Pihkola, Ivan Deviatkin, Anna Tenhunen, Juha Mannila, Hannu Minkkinen, Maija Pohjakallio, Jutta Laine-Ylijoki
JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS
(2020)
Article
Automation & Control Systems
Graeme Puxty, Marcel Maeder
JOURNAL OF CHEMOMETRICS
(2020)
Article
Thermodynamics
Dia Milani, Scott Nelson, Minh Tri Luu, Mehdi Aghaei Meybodi, Graeme Puxty, Ali Abbas
APPLIED THERMAL ENGINEERING
(2020)
Article
Engineering, Chemical
Min Xiao, Ding Cui, Qi Yang, Zhiwu Liang, Graeme Puxty, Hai Yu, Lichun Li, William Conway, Paul Feron
Summary: Tertiary amines are efficient CO2 absorbents but suffer from low absorption rates. To overcome this issue, formulated absorbents with di-amines as promoters have been suggested. This study demonstrates that the addition of di-amines significantly enhances CO2 absorption rates and cyclic capacity in DEEA-based solutions, with a shift in chemical speciation towards (bi)carbonate adducts as CO2 concentration increases. The new di-amine blend solutions show promising potential for rapid and deep CO2 removal.
CHEMICAL ENGINEERING SCIENCE
(2021)
Article
Thermodynamics
Dia Milani, Minh Tri Luu, Scott Nelson, Hanan Mohsin, Yiqing Liu, Graeme Puxty, Robbie McNaughton, Ali Abbas
Summary: This study introduces an advanced thermodynamic analysis to design a solar stripper (So-St) field for post-combustion carbon capture (PCC) plant. By optimizing the design protocol, the heat transfer efficiency is enhanced and a detailed design process for a representative case-study is provided.
INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER
(2021)
Article
Chemistry, Multidisciplinary
Venkata Sai Sriram Mosali, Xiaolong Zhang, Yan Liang, Linbo Li, Graeme Puxty, Michael D. Horne, Anna Brajter-Toth, Alan M. Bond, Jie Zhang
Summary: The development of new sulfide-derived copper-cadmium catalysts has shown promising results in enhancing the selectivity and efficiency of ethanol formation at low potentials, with a faradaic efficiency of around 32% and a relatively low current density. The presence of phase boundaries between CdS and Cu+/Cu sites in the SD-CuCd2 catalyst plays a key role in improving the performance.
Article
Energy & Fuels
Yanjie Xu, Mengxiang Fang, Qi Yang, Zhixiang Xia, Hai Yu, Tao Wang, Kexian Chen, Graeme Puxty
Summary: A novel water-lean CO2 solvent ENH with lower viscosity and higher CO2 cyclic capacity was reported, showing potential for industrial applications. ENH exhibited excellent performance in terms of viscosity, cyclic capacity, and regeneration energy, outperforming traditional water-lean CO2 solvents.
GREENHOUSE GASES-SCIENCE AND TECHNOLOGY
(2021)
Article
Engineering, Environmental
Yanjie Xu, Tao Wang, Qi Yang, Hai Yu, Mengxiang Fang, Graeme Puxty
Summary: A range of water-lean solutions blended from diamines, organic solvent diluents, and water were examined to reduce energy penalties. Some diamines were found to remain homogenous during CO2 uptake, showing low viscosity and rapid absorption and desorption rates.
CHEMICAL ENGINEERING JOURNAL
(2021)
Article
Biochemistry & Molecular Biology
Fredrik Weiland, Muhammad Saad Qureshi, Jonas Wennebro, Christian Lindfors, Taina Ohra-aho, Hoda Shafaghat, Ann-Christine Johansson
Summary: A two-step process was studied to treat polypropylene by pyrolysis and feed the liquid intermediate to a gasifier, generating high-quality syngas. The energy content of CO and H-2 in the produced syngas corresponded to approximately 40% of the energy content of the polypropylene raw material, with potential for improvement on a larger scale.
Article
Electrochemistry
Venkata Sai Sriram Mosali, Linbo Li, Graeme Puxty, Michael D. Horne, Alan M. Bond, Jie Zhang
Summary: In this study, ultrathin Pd nanosheets with a (111) exposed facet were synthesized for CO evolution in a CO2 saturated KHCO3 solution. Cu was introduced into the Pd nanosheets to form CuxPdy alloy nanosheets with (111) exposed planes, which showed competitive CO evolution compared with pure Pd nanosheets. The composition of the CuxPdy alloy played a significant role in determining the nanosheet structure and the product selectivity.
Article
Engineering, Chemical
Yanjie Xu, Qi Yang, Graeme Puxty, Hai Yu, William Conway, Mengxiang Fang, Tao Wang, Roger J. Mulder
Summary: Reducing water content, increasing organic character of absorbent molecules, and using non-aqueous diluents to substitute water are effective ways to improve absorbent performance. This study evaluated the diffusivity of component molecules in different blends and found that water-lean blends were more sensitive to CO2 loading and water content. The introduction of N-methyl-2-pyrrolidone weakened intermolecular interactions and had a significant impact on diffusivity, especially at higher temperatures.
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
(2022)
Article
Materials Science, Multidisciplinary
Yanjie Xu, Qi Yang, Aaron Seeber, Hai Yu, Tao Wang, Graeme Puxty, Mengxiang Fang
Summary: Two diamine-based water lean solvents, PNH and ENH, were studied for their corrosivity towards carbon steel. The Siderite (FeCO3) film formed in the aqueous solvents demonstrated stronger corrosion resistance compared to the Chukanovite (Fe2(CO3)(OH)2) film formed in DMEDA-H2O and DMPDA-H2O solvents. However, ENH and PNH showed more severe corrosion behavior due to a lack of film protection, leading to a ten-fold higher dissolved iron concentration. The corrosion resistance of the diamine water lean solvents improved when the water content was increased to 40%.
Article
Thermodynamics
Dia Milani, Minh Tri Luu, Scott Nelson, Graeme Puxty, Ali Abbas
Summary: This paper introduces a new methodology for solar-powered post-combustion carbon capture (SP-PCC) through a rigorous thermodynamic model and design protocol, as well as optimization strategies. These strategies can significantly reduce solvent storage capacity (SSC) and potentially enhance the economic model.
THERMAL SCIENCE AND ENGINEERING PROGRESS
(2021)
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)