Article
Thermodynamics
Changliang Wang, Maocheng Tian, Guanmin Zhang, Jingzhi Zhang
Summary: This paper experimentally investigates the flow and heat transfer behaviors of gas-liquid Taylor flow in a 1 x 1 mm square microchannel. The slug length, void fraction beta, and mixing velocity are evaluated for their impact on the overall performance of Taylor flow in the microchannel. The experimental results show that reducing the junction width increases bubble generation frequency and decreases bubble/slug length. The reduction in slug length improves heat transfer performance, but the extent of improvement depends on the void fraction. Overall, increasing mixing velocity improves the overall performance of Taylor flow.
APPLIED THERMAL ENGINEERING
(2023)
Review
Engineering, Chemical
Amin Etminan, Yuri S. Muzychka, Kevin Pope
Summary: Taylor flow is a strategy-oriented flow aiming to enhance momentum/heat/mass transfer rates, particularly suitable for gas-liquid and liquid-liquid two-phase systems in microchannels. Properly designed micro-structures are crucial for equipment dealing with transport phenomena.
Article
Thermodynamics
Mengmeng Huang, Chunying Zhu, Taotao Fu, Youguang Ma
Summary: The study investigates the gas-liquid two-phase flow and mass transfer enhancement by nanoparticles in CO2 absorption process using SiO2 nanofluids under Taylor flow regime. The presence of nanoparticles effectively enhances gas-liquid mass transfer, with K(L)a and pressure drop increasing with gas-liquid flow rate ratio, and CO2 absorption efficiency decreasing. However, K(L)a, CO2 absorption efficiency, and pressure drop increase with the increase of particle concentration in slurry.
INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER
(2021)
Article
Acoustics
Keiran Mc Carogher, Zhengya Dong, Dwayne S. Stephens, M. Enis Leblebici, Robert Mettin, Simon Kuhn
Summary: Through experimental analysis and numerical simulation, the principles of acoustic resonance within a liquid slug were investigated, and a mechanism of atomization in confined channels was proposed based on high-speed image analysis. The observed phenomenon provides a novel source of confined micro sprays and may overcome mass transfer limitations for gas-liquid processes in flow.
ULTRASONICS SONOCHEMISTRY
(2021)
Article
Engineering, Environmental
Lin Sheng, Yu Chang, Jian Deng, Guangsheng Luo
Summary: The mass transfer performance in microchannels is greatly improved compared to traditional gas-liquid chemical devices. However, the investigation of residence time in gas-liquid absorption systems, especially in viscous systems, is insufficient. This study investigates the microscale gas-liquid flow and mass transfer performance in viscous liquids based on the true residence time. The results provide insights into microflow characteristics and mass transfer performance in viscous solutions for microreactor design.
CHEMICAL ENGINEERING JOURNAL
(2023)
Article
Biochemical Research Methods
Tsai-Hsing Martin Ho, Junyi Yang, Peichun Amy Tsai
Summary: This study conducted high-pressure microfluidic experiments to investigate the mass transfer process of CO2 into water under various states. Results showed that bubbles/droplets under high pressure conditions reach a steady state faster and the volumetric mass transfer coefficient increases with the Reynolds number and high pressure at the supercritical state. Additionally, the microfluidic results demonstrated a significant increase in the volumetric mass transfer of CO2 into water by two to three orders of magnitude compared to chemical engineering applications using millimeter-sized capillaries.
Article
Engineering, Chemical
Mino Woo, Steffen Tischer, Olaf Deutschmann, Martin Woerner
Summary: This study investigates the hydrogenation of nitrobenzene to aniline in a microreactor through numerical simulations. The results show that increasing bubble velocity enhances mass transfer and aniline production rate. The reaction is found to be mass transfer limited even with a channel height of 100 mm, and is independent of the initial concentration of hydrogen in liquid nitrobenzene.
CHEMICAL ENGINEERING SCIENCE
(2021)
Review
Engineering, Chemical
Jie Zong, Jun Yue
Summary: This paper reviews the recent application of handling suspended solid particles in microreactors for efficient chemical conversions, focusing on the effect of the presence of solid particles on microflow characteristics, mass transfer properties, and reaction enhancement. The future potential application and challenges of such microreactor systems are also discussed.
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
(2022)
Article
Energy & Fuels
Xiaoyang Jiang, Ken-Ichiro Sotowa, Osamu Tonomura, Tae Hoon Oh
Summary: This study investigates the relationship between the length of segmented flow and the mass transfer coefficient in a gas-liquid microreactor system. It is found that the mass transfer coefficient is negatively correlated with the length of segmented flow, while the specific area increases with the valve frequency. Additionally, the specific area and mass transfer coefficient can be predicted using the valve frequency, fluid flow rate, and microchannel diameter. These findings contribute to a better understanding of the mass transfer phenomenon in gas-liquid segmented flows and provide support for the design of microreactor systems.
CHEMICAL ENGINEERING AND PROCESSING-PROCESS INTENSIFICATION
(2023)
Article
Mechanics
Zheng Zhang, Yi Zhang, Guanmin Zhang, Maocheng Tian
Summary: The bubble breakup process in a double T-type microchannel was simulated using a volume of fluid model via numerical simulation. The simulation results show five different breakup regimes, including non-breakup, tunnel breakup, obstructed breakup, merging symmetric breakup, and merging non-breakup. The study reveals that at high gas velocity and small bubble size, the bubble does not break up, while symmetric breakup regimes can be divided into tunnel breakup and obstructed breakup. The merging symmetrical breakup regime involves both tunnel breakup and obstructed breakup processes.
Article
Green & Sustainable Science & Technology
Hao Cheng, Yilin Fan, Dominique Tarlet, Lingai Luo, Zhiwei Fan
Summary: Carbon capture, utilization, and storage (CCUS) is crucial for reducing CO2 emissions and addressing climate change. Chemical absorption of CO2 has been widely used, but current processes are inefficient and difficult to control. Microfluidic devices offer a promising solution by providing smaller volumes, enhanced mass transfer, cleaner operations, higher productivity, and more efficient energy use.
RENEWABLE & SUSTAINABLE ENERGY REVIEWS
(2023)
Article
Engineering, Chemical
Hao Cheng, Dominique Tarlet, Yilin Fan, Lingai Luo
Summary: This paper presents an experimental study on CO2 chemical absorption by Monoethanolamine (MEA) solution in microchannel. The effect of a novel spirally distributed baffle structure on the gas-liquid mass transfer performance was characterized and discussed. The results showed that the spiral baffle structure significantly enhanced the mass transfer, with a maximum volumetric mass transfer rate (kLa) of 2.35 s-1.
CHEMICAL ENGINEERING SCIENCE
(2023)
Review
Engineering, Chemical
Mohsin Pasha, Saier Liu, Jin Zhang, Min Qiu, Yuanhai Su
Summary: This article introduces the process intensification for CO2 absorption using microreactors, and discusses the related research findings and economic analysis. The study found that the use of Taylor flow pattern, spiral and meandering microreactor structures, and primary and secondary amines absorbents can significantly improve the mass transfer efficiency in microreactors. However, microreactors have higher capital expenses and lower operating expenditures.
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
(2022)
Article
Engineering, Chemical
Xuancheng Liu, Hongye Li, Yibing Song, Nan Jin, Qingqiang Wang, Xunli Zhang, Yuchao Zhao
Summary: The study investigates the impact of wall wettability on the formation of gas bubbles and mass transfer process in microchannels. The results show that an increase in contact angle leads to higher gas bubble velocity, overall volumetric liquid phase mass transfer coefficients, and specific interfacial area, while reducing gas bubble length and leakage flow. A modified model is proposed to predict the gas-liquid mass transfer performance and agrees well with experimental observations.
CHINESE JOURNAL OF CHEMICAL ENGINEERING
(2023)
Article
Engineering, Chemical
Pierre Albrand, Benjamin Lalanne
Summary: Numerical simulations of Taylor flow were conducted using the unit cell approach, where the hydrodynamics of two-phase flows were computed using COMSOL Multiphysics software along with a moving mesh approach to track the interface. The gas-liquid mass transfer was then solved by varying the diffusion coefficient. Surprisingly, this study discovered that the global Sherwood number (Sh) plateaus with the Peclet number (Pe) when it exceeds 1000, which had not been reported before. Local Sherwood numbers were used to determine the contributions of transfer through the film (Shbf) and the caps (Shb), where Shbf followed the falling film theory while Shb only followed the penetration theory at moderate Peclet numbers. A dimensionless correlation was developed to predict Sh, which considered results from different configurations and showed that Sh was mainly influenced by both Pe (before saturation) and the gas hold-up (eG), highlighting the advantages of working with unit cells of small eG in milli-reactors.
CHEMICAL ENGINEERING SCIENCE
(2023)
Article
Engineering, Chemical
Qiankun Zhao, Haiyun Ma, Yanyan Liu, Chaoqun Yao, Lixia Yang, Guangwen Chen
Summary: This study investigates the mass transfer of Taylor bubbles in non-Newtonian fluids using an oxygen-sensitive colorimetric method, revealing the significant effects of fluid rheology on the operation range, bubble length, and shape. A mass transfer model is proposed, showing higher contribution of the film in shear-thinning fluids compared to Newtonian fluids.
CHEMICAL ENGINEERING SCIENCE
(2021)
Review
Microbiology
Ahmed Donia, Sammer-ul Hassan, Xunli Zhang, Lamiaa Al-Madboly, Habib Bokhari
Summary: The spectrum of emerging new diseases has broadened as infectious agents evolve and spread at enormous speeds, posing different challenges for high-income and low-and middle-income countries. Traditional wastewater surveillance methods may help in effectively addressing the current COVID-19 crisis.
Review
Chemistry, Multidisciplinary
Bilal Mughal, Syed Zohaib Javaid Zaidi, Xunli Zhang, Sammer Ul Hassan
Summary: Nanotechnology is widely utilized in various sectors, with biogenic synthesis of nanoparticles by microorganisms showing significant advantages. Challenges such as achieving desired size and shape, improving stability, and optimizing specific microorganisms for different applications need to be addressed. The applications of biogenic nanoparticles in medicine, environment, drug delivery, and biochemical sensors are explored in this review.
APPLIED SCIENCES-BASEL
(2021)
Article
Engineering, Environmental
Domenico Andrea Cristaldi, Alessio Labanca, Tomas Donal Pottinger, Joshua Owen, Eugen Stulz, Xunli Zhang, Dario Carugo
Summary: Flow-reactors offer better control over chemical reactions compared to batch methods, especially in nanoparticle production. The RIAC developed in this study has the potential to simplify the synthesis of nanomaterials without relying on highly specialized equipment or costly procedures.
CHEMICAL ENGINEERING JOURNAL
(2021)
Article
Engineering, Chemical
Wenxing Sun, Xunli Zhang, Chaoqun Yao, Qingqiang Wang, Nan Jin, Hongying Lv, Yuchao Zhao
Summary: In this study, a method based on Pickering emulsion systems (PES) was proposed for manipulating multiphase processes containing solid particles in microchannels without adhesion and accumulation. The characteristics of PES, SS, and VFS in a microchannel were systematically characterized, revealing that flow patterns depend on factors such as surface hydrophobicity, particle amount, viscosity, and flow rate. A scaling law of droplet size was established as a function of various parameters, showing how superficial velocity influences flow pattern transitions.
CHEMICAL ENGINEERING SCIENCE
(2021)
Article
Engineering, Chemical
Shenfang Li, Xunli Zhang, Desheng Ji, Qingqiang Wang, Nan Jin, Yuchao Zhao
Summary: In this study, a continuous flow aromatic nitration was conducted using droplet-based microreactors with mixed acid. The effects of key operating parameters on the nitration reaction were investigated, and the optimal experimental conditions were determined. The results showed that under the optimal conditions, the conversion and selectivity of the nitration reaction were 83.03% and 79.52%, respectively. Furthermore, kinetic models were developed and the calculated results were found to be in good agreement with the experimental data.
CHEMICAL ENGINEERING SCIENCE
(2022)
Article
Engineering, Chemical
Zhikai Liu, Mei Yang, Zhengya Dong, Chaoqun Yao, Guangwen Chen
Summary: A facile and robust ultrasonic micromixer was developed for intensified antisolvent precipitation via ultrasonic cavitation. The gas supersaturation generated from solvent-antisolvent mixing was identified as a novel driving force for the formation of cavitation bubbles (CBs). These CBs translated across the microchannel, inducing intense transverse flow and enabling rapid mixing of solvent-antisolvent over a wide range of Reynolds number and flow rate ratio. The ultrasonic micromixer demonstrated its potential as a new tool for antisolvent precipitation by synthesizing size-controllable and monodisperse polymeric nanoparticles in a high-throughput and reproducible manner.
Article
Engineering, Environmental
Hongye Li, Xunli Zhang, Qingqiang Wang, Nan Jin, Haisheng Wei, Yuchao Zhao
Summary: This study employed Pickering emulsion to enhance the oxidation of benzyl alcohol catalyzed by Pd/SiO2 nanoparticles in a microchannel reactor. The experimental results showed that the O/W Pickering emulsion system was superior to the W/O system for the catalytic oxidation reaction. The optimized reaction conditions included a reaction temperature of 403 K, a CB of 5 wt%, an O2/BNOH ratio of 0.76, and a tube length of 8 m. Under these conditions, the conversion of BNOH and the selectivity of benzaldehyde were found to be 86.53% and 99.79%, respectively. The study provides important insights for effectively performing multiphase catalytic reactions involving solid catalyst particles in microchannel reactors.
CHEMICAL ENGINEERING JOURNAL
(2023)
Article
Engineering, Environmental
Lixue Liu, Chaoqun Yao, Shuainan Zhao, Zhikai Liu, Guangwen Chen
Summary: An approach that combines power ultrasound and microchannel to enhance the mixing of miscible fluid in antisolvent processes is proposed. The evolution and oscillation of cavitation microbubbles during ultrasound actuation, facilitated by antisolvent processes, lead to easier initiation of transient cavitation compared to pure liquids. Interaction among microbubbles results in two distinct group patterns, namely bubble array and bubble cluster, significantly impacting mixing. Both patterns increase mixing efficiency by at least one order of magnitude compared to microfluidic devices and previously-studied ultrasonic microreactors. The approach generates high-quality mini-emulsions with a unimodal size range of 180-290 nm for the model system (acetone-soybean oil-water).
CHEMICAL ENGINEERING JOURNAL
(2023)
Article
Engineering, Chemical
Xuancheng Liu, Hongye Li, Yibing Song, Nan Jin, Qingqiang Wang, Xunli Zhang, Yuchao Zhao
Summary: The study investigates the impact of wall wettability on the formation of gas bubbles and mass transfer process in microchannels. The results show that an increase in contact angle leads to higher gas bubble velocity, overall volumetric liquid phase mass transfer coefficients, and specific interfacial area, while reducing gas bubble length and leakage flow. A modified model is proposed to predict the gas-liquid mass transfer performance and agrees well with experimental observations.
CHINESE JOURNAL OF CHEMICAL ENGINEERING
(2023)
Article
Engineering, Environmental
Zhikai Liu, Mei Yang, Qiankun Zhao, Chaoqun Yao, Guangwen Chen
Summary: In this study, a seamless scale-up strategy for the antisolvent precipitation process was developed using a series of ultrasonic microreactors (USMRs). By studying different cavitation patterns, establishing a mixing model, and understanding the relationship between NP size and mixing time, the successful seamless scale-up production of 55 nm PLGA-PEG NPs was achieved.
CHEMICAL ENGINEERING JOURNAL
(2023)
Review
Biochemistry & Molecular Biology
Fatih Yanar, Dario Carugo, Xunli Zhang
Summary: Organic and inorganic nanoparticles have been extensively studied for their unique properties and potential applications in various fields. Recently, hybrid nanomaterials combining organic nanocompartments with inorganic nanoparticles have attracted attention for drug delivery and theranostic applications. These hybrid systems offer improved stability, bioavailability, and reduced toxicity, as well as synergistic interactions between organic and inorganic nanoparticles. Moreover, they serve as multifunctional agents for advanced bioimaging and targeted drug delivery, with great potential in clinical applications.
Article
Chemistry, Multidisciplinary
Konstantina Alexaki, Maria Eleni Kyriazi, Joshua Greening, Lapatrada Taemaitree, Afaf H. El-Sagheer, Tom Brown, Xunli Zhang, Otto L. Muskens, Antonios G. Kanaras
Summary: In this study, we successfully demonstrated the rapid and accurate detection of SARS-CoV-2 infection without the need for PCR amplification using UCNPs and GO.
Article
Energy & Fuels
Harriet Kimpton, Xunli Zhang, Eugen Stulz
Summary: This study investigated the synthesis and temperature stability testing of three silver-based nanofluids for enhanced efficiency volumetric solar-thermal collectors. Results indicate the need for an appropriate stabilization strategy for a broadband absorber based on silver.
Article
Multidisciplinary Sciences
Yanyan Liu, Chaoqun Yao, Lixia Yang, Mei Yang, Guangwen Chen
Summary: Continuous slug flow in microreactors, featuring the presence of immiscible phases in microchannels or capillaries, is widely used in chemical engineering processes sensitive to mass transfer. The colorimetric technique allows for direct determination of mass transfer rates, but is currently limited to gas-liquid systems.
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)