Article
Energy & Fuels
Qi-Rong Zuo, Ming Gao, Peng Kong, Li-Xin Zhang
Summary: The microscopic characteristics and agglomerating morphologies of hydrate crystals are crucial for flow assurance and heat transfer in hydrate reaction equipment. In this study, experimental quartz tubes with small diameters were used to investigate the effects of supercooling, solution concentration, tube diameter, and flow rate on hydrate blockage time and agglomeration morphology. The research findings suggest that the density of single crystal hydrate formed in 10 wt%-20 wt% TBAB hydrate solution is low, with a needle-like or sword-like crystal front, promoting mass and heat transfer. High concentration TBAB solution (30 wt%-40 wt%) results in dense hydrate crystals with weakened tip effect. Increasing flow rate inhibits the growth of large crystals and promotes the formation of new nuclei in low concentration TBAB solution. Adjustable flow rates can produce grout solutions with different particle sizes. The initial morphology of TBAB hydrate crystals includes spherical and cylindrical shapes, and their morphological evolution process is similar. A microscopic physical model of TBAB hydrate growth and agglomeration process was established.
Article
Chemistry, Physical
Zhongjie Lian, Jiaming Yang, Junkai Wang, Lei Fu, Chu Wang, Bing Xiao, Jun Zhou, Kai Wu
Summary: Understanding the mechanism of active nanoparticle formation at the surface of perovskite oxide supports is crucial for enhancing the electrochemical properties of catalysts. Through density-functional theory and experimental studies, researchers have discovered that altering the perovskite structure, such as partial substitution and oxygen vacancy introduction, can facilitate the exsolution process of Ru atoms on the surface. These findings provide valuable insights for further optimization of the electrochemical performance of catalysts.
APPLIED SURFACE SCIENCE
(2021)
Article
Chemistry, Multidisciplinary
Zhouyang Zhang, Jun Qiang, Shensong Wang, Ming Xu, Min Gan, Zhenggang Rao, Tingfang Tian, Shanming Ke, Yangbo Zhou, Yongming Hu, Chi Wah Leung, Chee Leung Mak, Linfeng Fei
Summary: The study uses in situ transmission electron microscopy to observe nanoscale bubble formation in ultra-thin 2D flakes and identifies a three-step pathway for bubble formation in a confined environment, as well as the mechanism for bubble growth. The thorough understanding of the bubbling mechanism in a confined geometry has implications for refining modern nucleation theories and controlling bubble-related processes in the fabrication of advanced materials.
Review
Chemistry, Inorganic & Nuclear
Alan Braschinsky, Jonathan W. Steed
Summary: This review provides an overview of the field of confinement chemistry, focusing on enclosed molecular clusters and their nucleation and crystallization processes within confining matrices. The review explores the potential applications of confinement chemistry in drug discovery, drug delivery, crystal engineering, water harvesting, and gas capture.
COORDINATION CHEMISTRY REVIEWS
(2022)
Article
Multidisciplinary Sciences
A. Escobar, M. Ledesma-Motolinia, J. L. Carrillo-Estrada, F. Donado
Summary: In this study, we investigated the two-step crystallization process of a magnetic active 2D-granular system placed on different lens concaveness and under the action of an alternating magnetic field. We found that the depth of the parabolic potential plays a significant role in the two-step features of the crystallization process. The initial formation of an amorphous aggregate in the central region of the lens is followed by the evolution to an ordered crystalline structure due to effective temperature and perturbations caused by free particles. The size of the nucleus and the shape of the aggregates are influenced by the depth of the parabolic potential.
SCIENTIFIC REPORTS
(2023)
Review
Chemistry, Multidisciplinary
Wei Chen, Xianfeng Yi, Zhiqiang Liu, Xiaomin Tang, Anmin Zheng
Summary: This paper reviews the stabilization of carbocations in zeolites and summarizes advanced characterization methods for capturing carbocations. It clarifies the relationship between the activity and stability of carbocations in zeolite-catalyzed reactions.
CHEMICAL SOCIETY REVIEWS
(2022)
Review
Chemistry, Physical
Zexu Pang, Zhikang Cao, Wanlu Li, Wenxia Xu, Yingying Zhang, Qitao Zhou, Jing Pan, Fan Xia
Summary: Accurate detection of biomarkers with high sensitivity and specificity is crucial for the diagnosis and treatment of related diseases. However, many current detection methods have limitations and may result in inaccurate results. Compared to non-confined detection, confined space detection provides a more realistic representation of in-vivo conditions. Therefore, developing detection methods for target molecules in confined spaces is of great significance for both theoretical research and practical applications.
Article
Chemistry, Physical
Xinping Zhu, Matthieu Vandamme, Zhengwu Jiang, Laurent Brochard
Summary: This study investigates the effect of confinement on the kinetics of ice growth and the thermodynamic equilibrium of ice-liquid coexistence using molecular dynamics simulations. The results show that confinement shifts the maximum growth rate of ice to a higher temperature and slows down ice growth due to both confinement and surface impurities. Additionally, a formulation of Thomson's equation adapted to molecular simulation accurately predicts the melting line of both bulk and confined ice. The study also reveals that confinement significantly lowers the melting temperature of ice and leads to the formation of a premelted water film between the solid wall and ice.
JOURNAL OF CHEMICAL PHYSICS
(2023)
Article
Chemistry, Physical
Hongguang Zhang, Changsheng Chen, Xianren Zhang, Masao Doi
Summary: This article investigates the size fluctuation of a single liquid droplet in a microscopic system under various confinement conditions. It shows that the system confined in a nano-bubble exhibits richer phase behaviors with the coexistence of stable droplets and pure gas or liquid phases.
JOURNAL OF CHEMICAL PHYSICS
(2022)
Article
Energy & Fuels
Lei Zhou, Lijia Zhong, Xiaojun Zhang, Haiqiao Wei
Summary: The study shows that in spark-ignition engines, advancing the ignition timing of the end-gas spark can reduce pressure oscillation intensity and suppress autoignition; end-gas ignition has a significant influence on the occurrence and intensity of detonation and pressure oscillation.
Article
Energy & Fuels
Meng-yang Li, Ming Gao, Qi-rong Zuo, Yu-gang Zhao, Li-xin Zhang
Summary: This study investigated the nucleation process of TBAB hydrate using high-speed photography and proposed a model for calculating the Gibbs free energy required for hydrate nucleation. The maximum critical nucleation size of A-type TBAB hydrate was calculated to be about 29 Å, and that of B-type TBAB hydrate was approximately 15.6 Å, providing insights for further research on hydrate formation kinetics.
Article
Thermodynamics
Zhengcai Zhang, Peter G. Kusalik, Nengyou Wu, Changling Liu, Yongchao Zhang
Summary: This study investigates the stability of natural gas hydrates in confined space through molecular simulations, focusing on the effects of pore size and pore surface properties. The results show that the melting points of methane hydrate are controlled by the slit size, while the mineral surface has a minor effect. Additionally, the specific surface area of hydrate particles determines their stability in silica slits. Methane hydrate dissociates faster in confined space, especially in hydrophilic systems.
Article
Chemistry, Multidisciplinary
Jasmine Egli, Carmen Esposito, Mike Mueri, Sereina Riniker, Helma Wennemers
Summary: The presence of pendant fatty acids has been found to increase the stability and folding rate of collagen triple helices by interacting with the grooves and creating a molten globule-like intermediate. This interaction accelerates the folding and unfolding process, leading to hyperstability in collagen triple helices.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2021)
Article
Chemistry, Multidisciplinary
Huijuan Duan, Zuohui Cheng, Yongqiang Xue, Jinzhong Zhao, Meihong Yang, Zixiang Cui, Wenmei Gao, Shiyao Wang
Summary: The nano-effect plays a significant role in influencing the interfacial properties of nanoparticles, mainly consisting of the interfacial area effect and interfacial tension effect. As the particle size decreases, the nano-effect increases, leading to an increase in interfacial thermodynamic properties. When the radius is less than 10 nm, both interfacial area effect and interfacial tension effect impact the interfacial thermodynamic properties, resulting in deviations from linear relationships.
Article
Materials Science, Multidisciplinary
Adebayo A. Adeleke, Erin R. Johnson
Summary: The addition of a London dispersion correction is necessary for an accurate description of noncovalent interactions. This study examines the ability of dispersion-corrected density functionals to describe the equations of state and predict phase-transition pressures for elemental metals and intermetallic compounds under high pressure. The results highlight the importance of London dispersion physics in the bulk metal description.
Article
Materials Science, Ceramics
Juern W. P. Schmelzer, Timur Tropin, Vladimir M. Fokin, Rui Zhang, Amir Abdelaziz, Yeong Zen Chua, Vadlamudi Madhavi, Tim D. Shaffer, Christoph Schick
INTERNATIONAL JOURNAL OF APPLIED GLASS SCIENCE
(2019)
Article
Materials Science, Ceramics
Silvio Buchner, Felipe R. Kulbieda, Vladimir M. Fokin, Paulo Soares, Alvaro D. Machado, Juern W. P. Schmelzer, Naira M. Balzaretti
INTERNATIONAL JOURNAL OF APPLIED GLASS SCIENCE
(2019)
Article
Physics, Multidisciplinary
Juern W. P. Schmelzer, Alexander S. Abyzov, Vladimir G. Baidakov
Article
Physics, Multidisciplinary
Alexander S. Abyzov, Leonid N. Davydov, Juern W. P. Schmelzer
Article
Physics, Multidisciplinary
Alexander S. Abyzov, Juern W. P. Schmelzer, Vladimir M. Fokin, Edgar D. Zanotto
Article
Polymer Science
Ruslan A. Andrianov, Rene Androsch, Rui Zhang, Timur A. Mukhametzyanov, Alexander S. Abyzov, Juern W. P. Schmelzer, Christoph Schick
Article
Materials Science, Multidisciplinary
Guilherme S. Macena, Alexander S. Abyzov, Vladimir M. Fokin, Edgar D. Zanotto, Eduardo B. Ferreira
Article
Physics, Multidisciplinary
Jurn W. P. Schmelzer, Timur Tropin, Vladimir M. Fokin, Alexander S. Abyzov, Edgar D. Zanotto
Article
Materials Science, Ceramics
Lorena R. Rodrigues, Alexander S. Abyzov, Vladimir M. Fokin, Edgar Dutra Zanotto
Summary: This article discusses the influence of structural relaxation on crystal nucleation process. It shows that structural relaxation has a significant impact on nucleation rate at low temperatures, leading to a continuous increase before reaching a steady state. The study also explains the alleged breakdown of CNT at low temperatures and reveals a significantly lower actual maximum nucleation temperature than previously reported values.
JOURNAL OF THE AMERICAN CERAMIC SOCIETY
(2021)
Article
Materials Science, Multidisciplinary
Lorena R. Rodrigues, Alexander S. Abyzov, Vladimir M. Fokin, Juern W. P. Schmelzer, Edgar D. Zanotto
Summary: This study extends a new approach for analyzing nucleation kinetics below Tg, showing a significant impact of temperature on nucleation relaxation time and proposing an interpretation within the CNT framework. The results indicate that for certain glasses, the relaxation process cannot be completed in the low-temperature range, preventing the ultimate steady-state nucleation regime from being reached.
Article
Materials Science, Ceramics
Nikolay S. Yuritsyn, Vladimir M. Fokin, Juern W. P. Schmelzer, Alexander S. Abyzov, Alisson M. Rodrigues
Summary: This paper investigates the effect of temperature change rates on the glass transition temperature and the width of the glass transition interval through extensive experimental and theoretical studies. The results show that increasing the initial glass density leads to an increase in the transition temperature and a decrease in the transition interval width. A theoretical model is developed that successfully describes the variations in density and transition temperature and interval width during annealing and subsequent heating.
JOURNAL OF NON-CRYSTALLINE SOLIDS
(2022)
Article
Materials Science, Ceramics
Peter Fielitz, Daniel R. Cassar, Nikolay S. Yuritsyn, Alexander S. Abyzov, Vladimir M. Fokin, Guenter Borchardt, Joachim Deubener
Summary: Isolated Na2O dot 2CaO dot 3SiO(2) (NC2S3) single crystals were grown at temperatures above the glass transition. The enrichment of Na in the continuous solid solution upon crystallisation causes a depletion of soda in the growing interfacial diffusion zone, resulting in a change in viscosity.
JOURNAL OF NON-CRYSTALLINE SOLIDS
(2022)
Article
Chemistry, Physical
Alexander S. Abyzov, Vladimir M. Fokin, Nikolay S. Yuritsyn, Marcio L. F. Nascimento, Juern W. P. Schmelzer, Edgar D. Zanotto
Summary: In previous studies, crystal nucleation in glass-forming substances was assumed to occur in a fully relaxed supercooled liquid at constant critical parameter values. However, this study proves that structural relaxation strongly affects crystal nucleation in deeply supercooled states below the glass transition temperature (Tg), causing key parameters determining nucleation rates to change with time. Furthermore, it was found that the particular lithium silicate glass used in this study almost fully crystallizes before reaching the ultimate steady-state nucleation regime, indicating the significance of considering this phenomenon in crystal nucleation models.
JOURNAL OF CHEMICAL PHYSICS
(2023)
Article
Physics, Multidisciplinary
Juern W. P. Schmelzer, Timur V. Tropin, Alexander S. Abyzov
Summary: We investigate the formation and growth of clusters in segregation processes, where segregating particles are continuously added to a solid or liquid solution in an open system with a given input flux rate. The input flux significantly affects the number of supercritical clusters formed, their growth kinetics, and the coarsening behavior in the late stages of the process. This analysis combines numerical computations with an analytical treatment to specify the dependencies, including the coarsening kinetics, which goes beyond the classical theory. This approach provides a general tool for theoretical description of Ostwald ripening in open systems with changing boundary conditions.
Article
Materials Science, Ceramics
Guilherme S. Macena, Alexander S. Abyzov, Vladimir Fokin, Marcio L. F. Nascimento, Edgar D. Zanotto, Eduardo B. Ferreira
Summary: This study comprehensively investigates a stoichiometric glass-forming system, analyzing the concentration profiles of sodium and calcium during crystal growth. The rejection of calcium leads to a decrease in crystal nucleation rate near the crystal-glass interface, while the diffusion activation barrier remains constant. Additionally, the calcium diffusion coefficients are independent of glass composition.
JOURNAL OF THE AMERICAN CERAMIC SOCIETY
(2023)