Article
Nanoscience & Nanotechnology
Yang Zhao, Mingzhao Yang, Man Li, Hongsheng Dong, Yang Ge, Qingping Li, Lunxiang Zhang, Yu Liu, Lei Yang, Yongchen Song, Jiafei Zhao
Summary: Efficient gas enrichment methods are crucial for the storage, transportation, and sequestration of clean energy and carbon dioxide. A novel recyclable hydrate promoter has been developed, which effectively reduces the induction time of methane hydrate formation, increases gas storage capacity, and inhibits foam during hydrate decomposition. Additionally, this promoter enhances CO2 storage capacity and shows potential for sequestering CO2 in the form of gas hydrate under the seafloor.
ACS APPLIED MATERIALS & INTERFACES
(2022)
Review
Engineering, Environmental
Ye Zhang, Gaurav Bhattacharjee, Rajnish Kumar, Praveen Linga
Summary: This article focuses on the current state of solidified hydrogen storage via clathrate hydrates and comprehensively evaluates the properties and performances of different H-2-containing hydrate systems. The controversial issues in hydrogen hydrate research, such as multiple cage occupancy by H-2 molecules and the tuning effect, are also elucidated. Finally, the challenges, limitations, and future opportunities for hydrate-based hydrogen storage are identified.
CHEMICAL ENGINEERING JOURNAL
(2022)
Article
Engineering, Environmental
Jyoti Shanker Pandey, Jesper Lundtoft Hansen, Nicolas von Solms
Summary: This study investigates the effects of different types of promoters on the adsorption capacity of hydrogen-rich natural gas hydrates and suggests that promoter selection should be based on the hydrogen gas mol% in the mixture. The results reveal that kinetic promoters are effective at low hydrogen concentrations, while thermodynamic promoters are effective at high hydrogen concentrations. Furthermore, the study emphasizes the influence of the CH4/C2H6 mixture on formation kinetics and crystal structure, and the impact of hydrogen mol% on H-2 cage occupancy.
CHEMICAL ENGINEERING JOURNAL
(2022)
Article
Engineering, Environmental
Yu Feng, Yang Zhao, Yuze Han, Yanzhen Liu, Lunxiang Zhang, Jiafei Zhao, Lei Yang, Yongchen Song
Summary: The formation and dissociation behavior of CO2 hydrates in the presence of clay particles were investigated using low-field nuclear magnetic resonance. It was found that montmorillonite particles significantly promoted the conversion of water into hydrate, while illite particles had a weaker promoting effect. According to the DLVO theory, the total interaction potential between montmorillonite particles was much higher than that between illite particles.
CHEMICAL ENGINEERING JOURNAL
(2023)
Article
Green & Sustainable Science & Technology
Seokyoon Moon, Yunseok Lee, Dongju Seo, Seungin Lee, Sujin Hong, Yun-Ho Ahn, Youngjune Park
Summary: The blue hydrogen production process combines traditional fossil fuel production methods with carbon capture and storage technologies to reduce CO2 emissions, providing a faster alternative to green hydrogen production. Hydrogen-natural gas blends are proposed as a practical near-term option, with clathrate hydrates being considered a feasible way to store the blends. The study investigated the critical hydrogen concentration and formation kinetic patterns of the HNGB hydrates, providing practical insights for developing storage media and transportation systems in the near future.
RENEWABLE & SUSTAINABLE ENERGY REVIEWS
(2021)
Article
Chemistry, Multidisciplinary
Dmitry A. Strukov, Tatyana P. Adamova, Andrey Y. Manakov
Summary: The results of visual studies show that during the growth of methane and carbon dioxide hydrates in acid and alkali solutions, hydrate films form at the water-gas interface and on the walls of the reactor. Additionally, hydrate films also grow on the free walls of the reactor, possibly formed from wetting water films on the walls. This study also observes the growth of relatively large hydrate agglomerates directly from the reactor walls, potentially facilitated by film transfer of water between the hydrate films and the walls.
CRYSTAL GROWTH & DESIGN
(2023)
Article
Energy & Fuels
Yingmei Wang, Aili Niu, Wenze Jiao, Ji Chen, Peng Zhang, Jinping Li
Summary: Carbon dioxide hydrate formation rate is improved by using different accelerator systems. The combination of nanographite-TBAB and SDS-TBAB shows better performance in reducing the nucleation time. TBAB shows the best nucleation amount, formation rate, and conversion rate among the single acceleration systems.
Article
Energy & Fuels
Changrui Shi, Shuai Wang, Huiquan Liu, Lunxiang Zhang, Mingjun Yang, Yongchen Song, Jiafei Zhao, Zheng Ling
Summary: This study presents a simple and scalable strategy to produce aerogels as efficient promoters for methane hydrate formation. The as-made aerogels significantly improve the formation kinetics of methane hydrate and show high storage capacity and cycling stability. The study also investigates the molecular mechanisms behind the enhanced formation of methane hydrate through the interaction between oxygen-containing surface functional groups and water molecules.
Article
Engineering, Environmental
Gaurav Bhattacharjee, Hari Prakash Veluswamy, Asheesh Kumar, Praveen Linga
Summary: Solidified Natural Gas (SNG) technology provides a compact and safe option for large-scale natural gas storage. Introducing thermodynamic promoters like THF into the classical methane-water system enables rapid gas uptake at moderate pressure and temperature. The study compares the stability of cylindrical mixed methane-THF (sII) and pure methane (sI) hydrate pellets, with results showing exceptional stability of sII hydrates and significant gas evolution from sI hydrates stored at different temperatures. Long-term stability testing of methane-THF (sII) hydrate pellets produced using fresh and seawater demonstrates the commercial viability of SNG technology.
CHEMICAL ENGINEERING JOURNAL
(2021)
Article
Engineering, Environmental
Byeonggwan Lee, Kyuchul Shin, Sanehiro Muromachi, Igor L. Moudrakovski, Christopher I. Ratcliffe, John A. Ripmeester
Summary: Antifreezes such as methanol and ammonia can enhance methane storage in binary clathrate hydrates like THF and TBAB. Methanol acts as a catalyst for methane hydrate formation and induces TBAB hydrates to form an orthorhombic structure suitable for methane storage. These findings suggest that methanol could play a crucial role in hydrate-based methane storage systems.
CHEMICAL ENGINEERING JOURNAL
(2021)
Article
Chemistry, Physical
Shengli Liu, Wenxiu Zhang, Huanhua Wu, Jiaheng Wang, Yongqi Yuan, Sikai Wang, Jinxiang Liu
Summary: Clathrate hydrate is a promising candidate for hydrogen storage, and the addition of natural gas can reduce the formation pressure and improve energy density. Through calculations and simulations, we estimated the hydrogen storage capacity of H2-CH4 binary hydrate and studied its thermodynamical and mechanical stability. The binary hydrate can maintain its structure under moderate temperature and pressure, and exhibits a self-preservation effect at -270 K, making it suitable for hydrogen storage and transport. These findings enhance our understanding of mixed hydrate as a viable hydrogen storage technology for achieving a sustainable hydrogen economy.
JOURNAL OF MOLECULAR LIQUIDS
(2023)
Article
Chemistry, Multidisciplinary
Wonhyeong Lee, Dong Woo Kang, Yun-Ho Ahn, Jae W. Lee
Summary: This study introduces a hydrate seed solution for the rapid formation of hydrogen-enriched hydrocarbon mixed hydrates, showing that the type of hydrate seed solution used can significantly impact the growth and structure of the resulting gas hydrates. THF hydrate seed provides a higher storage ratio of hydrogen compared to CP hydrate seed, indicating potential for enhanced formation of hydrogen-natural gas clathrates for sustainable energy gas storage.
ACS SUSTAINABLE CHEMISTRY & ENGINEERING
(2021)
Article
Thermodynamics
Elaheh Sadeh, Abdolreza Farhadian, Abolfazl Mohammadi, Mina Maddah, Mahdi Pourfath, Mingjun Yang
Summary: The increased energy demand and population growth have resulted in a significant rise in atmospheric carbon dioxide (CO2). Natural gas and carbon capture and storage are crucial for efficient management. Gas hydrates have potential for CO2 capture and energy storage, but their slow formation kinetics have limited commercial usage. In this study, a novel anionic surfactant called aconitic acid (ASA) was developed to improve the formation kinetics of methane and CO2 hydrates. The experiments showed that even at low concentrations, ASA significantly enhanced the formation kinetics of methane hydrates. Molecular dynamics simulations revealed that ASA molecules increased the solubility of gas molecules in the solution, leading to enhanced hydrate growth. Furthermore, no foam formation occurred in the ASA solution at high concentrations. These findings highlight the potential of ASA as an efficient and foamless gas hydrate promoter for methane storage and CO2 capture applications.
ENERGY CONVERSION AND MANAGEMENT
(2023)
Article
Chemistry, Physical
Asheesh Kumar, Hari Prakash Veluswamy, Sanat Kumar, Rajnish Kumar, Praveen Linga
Summary: Clathrate hydrate-based sustainable technologies, such as solidified natural gas (SNG) technology, show great potential for storing natural gas. Experiments on mixed hydrates in a seawater environment reveal the promotional effect of seawater on hydrate formation and suggest the economic feasibility of using natural seawater to enhance SNG technology.
JOURNAL OF PHYSICAL CHEMISTRY C
(2021)
Article
Engineering, Environmental
Yongji Wu, Yurong He, Ming Zhai, Tianqi Tang
Summary: Research shows that using wet activated carbon samples and ice induction can effectively improve the synthesis rate and storage capacity of methane hydrates. By combining certain water content, appropriate particle size of activated carbon, and suitable pressure conditions, methane hydrates with high methane storage capacity can be obtained. This innovative technology is of great significance for the development of solidified natural gas technology.
CHEMICAL ENGINEERING JOURNAL
(2023)
Editorial Material
Energy & Fuels
Praveen Linga
Article
Engineering, Chemical
Praveen Linga
Summary: This article presents a bibliometric analysis of the field of gas hydrates or clathrate hydrates from 1901 to 2020. The analysis includes the top countries, cited review articles, original research articles, source titles, field classifications, citation rate trends, and co-occurrence of keywords. Network visualization maps were created to analyze the citations and identify the relationships between countries, sources, and organizations.
CANADIAN JOURNAL OF CHEMICAL ENGINEERING
(2023)
Article
Engineering, Environmental
Kan Jeenmuang, Phuwadej Pornaroontham, Katipot Inkong, Gaurav Bhattacharjee, Santi Kulprathipanja, Praveen Linga, Pramoch Rangsunvigit
Summary: This study reveals that using amino acids as kinetic promoters can enhance the formation of mixed methane-THF hydrates at room temperature and pressure, with hydrophobic amino acids showing the most significant effect.
CHEMICAL ENGINEERING JOURNAL
(2023)
Article
Thermodynamics
Hyunho Kim, Junjie Zheng, Zhenyuan Yin, Ponnivalavan Babu, Sreekala Kumar, Jackson Tee, Praveen Linga
Summary: The rheology of TBAB semi-clathrate hydrate slurry (SHS) was studied, and the discrepancy in the literature was clarified. TBAB SHS exhibited non-Newtonian shear-thinning behavior, with its apparent viscosity increasing exponentially with the increase of hydrate fraction. Type B TBAB SHS was recommended due to its lower apparent viscosity. Additionally, the environmentally benign additive L-tryptophan was found to significantly decrease the apparent viscosity of TBAB SHS and reduce pumping power consumption in cooling applications by 68.7%.
Article
Chemistry, Multidisciplinary
Viphada Yodpetch, Katipot Inkong, Hari Prakash Veluswamy, Santi Kulprathipanja, Pramoch Rangsunvigit, Praveen Linga
Summary: Carbon capture and storage (CCS) is a promising method for reducing carbon dioxide (CO2) emissions from fossil fuels. Amino acids, such as leucine, methionine, and valine, were used as promoters in CO2 hydrate formation. Different concentrations of amino acids had varying effects on the rate of hydrate formation. The use of amino acids with the hybrid combinatorial reactor (HCR) approach shows promise for CCS applications.
ACS SUSTAINABLE CHEMISTRY & ENGINEERING
(2023)
Article
Energy & Fuels
Junjie Ren, Siyu Zeng, Daoyi Chen, Mingjun Yang, Praveen Linga, Zhenyuan Yin
Summary: This study investigates the role of clay minerals in CO2 hydrate formation and dissociation in clay-rich sediments. It is found that the presence of sodium montmorillonite (Na-MMT) clay significantly reduces the induction time and growth rate of CO2 hydrate due to additional nucleation sites and induced surface electric field. The high viscosity of the suspension and the clay-induced strongly-polarized water layer impede the mass transfer of CO2, thereby retarding the overall kinetics of CO2 hydrate formation.
Article
Energy & Fuels
Vikas Dhamu, M. Fahed Qureshi, Saifudin Abubakar, Adam Usadi, Timothy A. Barckholtz, Ashish B. Mhadeshwar, Praveen Linga
Summary: Carbon capture and storage [CCS] is essential for reducing CO2 emissions, and one potential CCS concept is compressing and storing captured CO2 as gas hydrates in deep oceanic sediments. However, the high salinity of seawater may affect the formation and storage of CO2 hydrates. Therefore, it is crucial to understand the kinetics of liquid CO2 hydrate formation and dissociation in static brine systems.
Article
Energy & Fuels
Ye Zhang, Huanzhi Xu, Gaurav Bhattacharjee, Praveen Linga
Summary: With the increasing demand for natural gas in the current century, solidified natural gas technology is expected to play a vital role in enhancing energy resilience and ensuring sufficient energy supply globally. In this study, dioxane was used as an environmentally friendly additive and a dual-function promoter for hydrate formation in simulated seawater, addressing the issues of water scarcity and the use of toxic chemicals, and potentially increasing methane storage capacity.
Article
Engineering, Chemical
Namrata Gaikwad, Hyunho Kim, Gaurav Bhattacharjee, Jitendra S. Sangwai, Rajnish Kumar, Praveen Linga
Summary: This study experimentally investigated the formation of sH hydrate with methane and cyclooctane for possible applications in gas storage. The study found that the slow kinetics of sH hydrate formation can be improved by using low tryptophan concentrations. Raman analysis confirmed the presence of methane and cyclooctane in the sH hydrate cages.
ACS ENGINEERING AU
(2023)
Article
Energy & Fuels
Zheng Liu, Junjie Zheng, Zhiyuan Wang, Yonghai Gao, Baojiang Sun, Youqiang Liao, Praveen Linga
Summary: Natural gas hydrate (NGH) is an unconventional energy source with high energy density, huge reserves, and worldwide distribution. Sand-dominated hydrate-bearing sediments (HBS) are the most feasible category for exploitation, however, the presence of clay hinders the formation kinetics of the hydrates, making it challenging to study fluid production behavior. This study synthesized clayey-sandy HBS samples using a new method and observed that the presence of clay led to slower hydrate decomposition and a significant difference in fluid production behavior compared to sandy HBS. The findings call for further investigations and development of specific production strategies for clay-containing HBS.
Article
Engineering, Environmental
Jibao Zhang, Yan Li, Zhenyuan Yin, Praveen Linga, Tianbiao He, Xiangyuan Zheng
Summary: This study introduces an environmentally friendly kinetic promoter (L-valine) and couples it with a thermodynamic promoter (THF) to enhance the kinetics of H2 hydrate formation. The optimal enhancement is achieved using 0.3 wt% L-Val coupled with 5.56 mol% THF, resulting in a maximum volumetric H2 uptake of 29.83 +/- 1.22 v/v. The results provide insights into accelerating H2 uptake in solid-hydrate form and have potential applications in hydrate-based hydrogen storage.
CHEMICAL ENGINEERING JOURNAL
(2023)
Article
Thermodynamics
Qiang Zhang, Junjie Zheng, Baoyong Zhang, Praveen Linga
Summary: Coalbed methane recovery is crucial for coal mine safety, reducing greenhouse gas emissions, and economic benefits. Gas hydrate technology can effectively separate CH4 from N2-rich coal mine gas. The synergistic effect of sII hydrate promoters and amino acids was examined for enhancing hydrate formation kinetics, separation performance, and CH4 recovery. Amino acids showed significant promotion effects, particularly for the propane system, and improved kinetics by over 10 times. CP-amino acid systems demonstrated excellent separation performance, increasing CH4 content from 30% to 70%. THF-amino acid systems achieved the highest CH4 recovery of up to 50.27%. The impact of amino acids varied depending on the system, and two possible mechanisms, including interfacial tension alteration and amino acid hydrophobicity, were discussed. These insights provide a basis for optimizing the hydrate process for coalbed methane recovery and other applications.
Article
Engineering, Environmental
Yan Li, Zhenyuan Yin, Hongfeng Lu, Chenlu Xu, Xuejian Liu, Hailin Huang, Daoyi Chen, Praveen Linga
Summary: Carbon capture and sequestration (CCS) is widely recognized as the most effective technology for reducing CO2 emissions and mitigating global climate change. Hydrate-based CO2 sequestration (HBCS) has emerged as a promising technology, and there is growing interest in using hydrophobic amino acids to enhance CO2 hydrate formation kinetics.
JOURNAL OF ENVIRONMENTAL CHEMICAL ENGINEERING
(2023)
Article
Energy & Fuels
Chuvich Chaovarin, Viphada Yodpetch, Katipot Inkong, Hari Prakash Veluswamy, Santi Kulprathipanja, Praveen Linga, Pramoch Rangsunvigit
Summary: The effect of three different side-chain amino acids on methane hydrate formation and dissociation was investigated, and it was found that the presence of amino acids significantly decreased the induction time and increased the rate of methane hydrate formation.
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)
