Review
Chemistry, Physical
Subhadip Das, Kavya Mrudula Tadepalli, Sudip Roy, Rajnish Kumar
Summary: This article reviews the existing theories on nucleation and growth of gas hydrates, discusses the factors affecting decomposition, and explores the analysis techniques used to quantify such mechanisms. Molecular Dynamics simulations play a significant role in understanding these processes.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Chemistry, Physical
Kun Luo, Yidi Shen, Jun Li, Qi An
Summary: The stability mechanism of methane hydrate under pressure has been elucidated through molecular dynamics simulations using a quantum mechanics-derived machine-learning force field. It has been found that the decomposition behavior of methane hydrate is regulated by the stability of water cages, with the most stable methane hydrate occurring at 2 kbar. Deviation from the optimal water molecule distance due to too low or too high pressure leads to rapid deconstruction of water cages and promotes the decomposition of methane hydrates. These findings provide molecular insights into pressure-dependent decomposition of methane hydrates and have implications for the stability of other gas hydrates.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Energy & Fuels
Jie Zhang, Chuanxian Li, Fei Yang, Lei Shi, Bo Yao, Guangyu Sun
Summary: This study investigates the effects of asphaltene subfractions on the growth process of hydrate particles. The dispersion state and interfacial adsorption amount of the asphaltene subfractions were found to impact the change degree of particle morphology and the growth rate of hydrate shells. The effects of the asphaltene subfractions on hydrate growth varied with concentration.
Article
Chemistry, Physical
Satoshi Takeya, Akihiro Hachikubo, Hirotoshi Sakagami, Hirotsugu Minami, Satoshi Yamashita, Masayoshi Takahashi, Keiichi Hirano, Kazuyuki Hyodo, Akio Yoneyama
Summary: Understanding the dissolution processes of natural methane (CH4) hydrates is crucial for assessing the amount of methane released into seawater from unconventional natural gas resources. High-resolution experiments have successfully visualized the spatial relationships between methane hydrates and seawater, revealing that dissociation of methane hydrates leads to the formation of microbubbles.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Multidisciplinary Sciences
Michael Benedict Davies, Martin Fitzner, Angelos Michaelides
Summary: Through molecular dynamics simulations, researchers have found that many different substrates can promote the formation of pristine I-c, I-c can be selectively nucleated even with mild supercooling, the water contact layer's resemblance to a face of ice is the key factor determining the polytype selectivity and nucleation temperature, and substrate lattice match to ice is not indicative of the polytype obtained.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
(2021)
Article
Chemistry, Physical
Bin Huang, Jiaoyang Li, Cheng Fu, Tianyue Guo, Chang Ding, Lu Zhang, Wei Guo
Summary: Hydrates and asphaltene-resin-wax deposits pose a significant problem in offshore oil and gas production and transportation. This study investigated the rheological properties of hydrate slurry in water-in-asphaltene-resin-wax deposits, with a focus on the effects of pressure, emulsion component ratio, and deposit composition. The results showed that higher pressure accelerated hydrate formation and aggregation, and resulted in shear-thinning behavior. The emulsion component ratio positively correlated with hydrate slurry viscosity and yield stress, and negatively correlated with hydrate crystallization time. Asphaltene and wax hindered hydrate crystallization, while resin promoted it.
JOURNAL OF DISPERSION SCIENCE AND TECHNOLOGY
(2023)
Article
Geosciences, Multidisciplinary
Laura A. Stern, Steven Constable, Ryan Lu, Wyatt L. Du Frane, Jeffery J. Roberts
Summary: This study reveals that pure CO2 hydrate exhibits significantly higher electrical conductivity than pure CH4 hydrate at geologically relevant temperatures. This finding suggests potential applications for monitoring CO2 hydrate formation in certain natural settings.
GEOPHYSICAL RESEARCH LETTERS
(2021)
Article
Thermodynamics
Takashi Morimoto, Yuki Koga, Rikuto Suzuki, Satoshi Takeya, Takaaki Inada, Hiroyuki Kumano
Summary: The study found that mixed metal particles prepared by grinding have a significant nucleation-promoting effect on TBAB hydrate. The changes in the physicochemical properties of the mixed metal particles during grinding were believed to accelerate the nucleation of TBAB hydrate.
INTERNATIONAL JOURNAL OF REFRIGERATION
(2021)
Review
Engineering, Environmental
Jie Zhang, Chuanxian Li, Lei Shi, Xue Xia, Fei Yang, Guangyu Sun
Summary: This study summarizes the recent development of hydrate formation and aggregation in water in-oil emulsions containing wax crystals, asphaltenes, and solid particles. The research found that these compositions can either promote or inhibit hydrate formation, and can also change the surface properties of hydrate particles, affecting their aggregation.
CHEMICAL ENGINEERING JOURNAL
(2022)
Article
Green & Sustainable Science & Technology
Ahmed Omran, Nikolay Nesterenko, Valentin Valtchev
Summary: This review discusses the potential use of zeolitic ice or clathrate hydrates as environmentally friendly materials in the energy transition process, with a focus on their role in gas purification and safe storage.
RENEWABLE & SUSTAINABLE ENERGY REVIEWS
(2022)
Article
Chemistry, Multidisciplinary
Liwen Li, Xiao Wang, Youguo Yan, Joseph S. Francisco, Jun Zhang, Xiao Cheng Zeng, Jie Zhong
Summary: This study investigates the nucleation process of natural gas hydrates at different degrees of supercooling using molecular dynamics simulations. The concept of a transition layer is proposed to explain the distinct nucleation phenomena observed at different supercoolings.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Article
Energy & Fuels
Gustavo A. B. Sandoval, Marcio Couto Ozorio, Monica F. Naccache, Paulo R. de Souza Mendes, Amadeu K. Sum, Leandro Valim, Adriana Teixeira
Summary: This work presents a rheological analysis of cyclopentane hydrates formed in water-in-oil emulsions, investigating the influence of parameters such as pretreatment temperatures and cooling/heating rates. The study shows that the resulting hydrate slurry exhibits elasticity and shear thinning behavior, likely caused by breakdown of hydrate structures and alignment of hydrate agglomerates to the flow.
Article
Chemistry, Physical
Robert P. C. Bauer, Aravind Ravichandran, John S. Tse, Narayan Appathurai, Graham King, Beatriz Moreno, Serge Desgreniers, Ramaswami Sammynaiken
Summary: Researchers have found that methane or carbon dioxide can form clathrate hydrates with water under high vacuum conditions, and the formation of these hydrates is influenced by phase transformations in ice.
JOURNAL OF PHYSICAL CHEMISTRY C
(2021)
Article
Engineering, Chemical
Qian Zhang, Malcolm A. Kelland
Summary: Kinetic hydrate inhibitors (KHIs) have been used for over 25 years in oil and gas production flowlines to prevent gas hydrate formation. The main component in KHI formulations is a water-soluble polymer, with polymaleamides showing significant performance enhancement in inhibiting gas hydrate formation. Studies have improved our understanding of the optimal structural features for KHI polymers.
CHEMICAL ENGINEERING SCIENCE
(2021)
Article
Chemistry, Physical
Satoshi Takeya, Sanehiro Muromachi, Akio Yoneyama, Keiichi Hirano, Kazuyuki Hyodo, John A. Ripmeester
Summary: Methane hydrate in the superheated state can be stored for a long time, and by coating it with other hydrates, the need for a defect-free interface between different hydrates can be eliminated. This study found that liquid cyclopentane can keep gas hydrate crystals intact and convert the outer layer of methane hydrate into cyclopentane hydrate.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2022)
Article
Energy & Fuels
Amit Ahuja, Anam Iqbal, Mohsin Iqbal, Jae W. Lee, Jeffrey F. Morris
Article
Mechanics
Sidhant Pednekar, Jaehun Chun, Jeffrey F. Morris
JOURNAL OF RHEOLOGY
(2018)
Article
Mechanics
Abhinendra Singh, Romain Mari, Morton M. Denn, Jeffrey F. Morris
JOURNAL OF RHEOLOGY
(2018)
Article
Mechanics
Madhu V. Majji, Jeffrey F. Morris
Article
Mechanics
Amit Ahuja, Andrei Potanin
Review
Chemistry, Physical
Morton M. Denn, Jeffrey F. Morris, Daniel Bonn
Article
Physics, Multidisciplinary
Jetin E. Thomas, Kabir Ramola, Abhinendra Singh, Romain Mari, Jeffrey F. Morris, Bulbul Chakraborty
PHYSICAL REVIEW LETTERS
(2018)
Article
Food Science & Technology
Amit Ahuja, Joey Lu, Andrei Potanin
JOURNAL OF TEXTURE STUDIES
(2019)
Article
Food Science & Technology
Amit Ahuja, Reginald Lee, Alina Latshaw, Peter Foster
JOURNAL OF TEXTURE STUDIES
(2020)
Article
Mechanics
Amit Ahuja, Iraklis Pappas, Andrei Potanin
Review
Chemistry, Physical
Amit Ahuja, Andrei Potanin, Yogesh M. Joshi
ADVANCES IN COLLOID AND INTERFACE SCIENCE
(2020)
Article
Mechanics
Amit Ahuja, Reginald Lee, Peter Foster
Review
Chemistry, Physical
Amit Ahuja, Reginald Lee, Yogesh M. Joshi
Summary: Complex fluids and soft materials are commonly encountered in nature and industry, often exposed to high hydrostatic pressures. However, the role of pressure on rheological properties has not been extensively studied. High-pressure rheology data covers a wide range of pressures and materials, but understanding of the pressure effect is still in its early stages compared to temperature effects.
ADVANCES IN COLLOID AND INTERFACE SCIENCE
(2021)
Article
Chemistry, Physical
Amit Ahuja, Chaiwut Gamonpilas
Summary: Rheological measurements were conducted to examine the behavior of thermally responsive capillary suspensions, showing a unique two-step yielding process attributed to the rupturing of the bicontinuous network structure and particle aggregates.
COLLOID AND POLYMER SCIENCE
(2021)
Article
Mechanics
Madhu V. Majji, Sanjoy Banerjee, Jeffrey F. Morris
JOURNAL OF FLUID MECHANICS
(2018)
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)