Article
Energy & Fuels
Xiang Liu, Jialu Zhang, Yuxing Li, Yuanxing Ning, Zhiming Liu, Guangchun Song, Wuchang Wang
Summary: This study investigated the growth characteristics of hydrate in a gas-water system through experiments, and found that the integrity of liquid film and sudden transformation of water layer into hydrate deposits are important factors affecting gas phase and bulk hydrate formation. The growth of gas-phase hydrate deposition can be divided into two stages: wall formation and film growth.
Article
Engineering, Environmental
Yuechao Zhao, Xu Lei, Jia-nan Zheng, Ming Li, Michael L. Johns, Mingxing Huang, Yongchen Song
Summary: Gas hydrates are considered promising for gas storage, energy transportation, and seawater desalination. Using MRI, researchers were able to non-invasively image the formation of opaque hydrates from CO2 and water in a cylindrical vessel at low temperature and high pressure. They observed dense hydrate layers forming consistently at the gas-water interface, porous hydrate layers above it, and complex dendritic formations in the water phase below.
CHEMICAL ENGINEERING JOURNAL
(2021)
Article
Engineering, Environmental
Alberto Maria Gambelli, Federico Rossi
Summary: In this study, methane hydrates were analyzed for their thermodynamic and kinetic properties in the presence of fresh water and a pure quartz porous medium. The Labile Clusters Theory was used to calculate the hydrate formation rate as a first-order chemical kinetic equation, providing insights into the time dependence of the process. Pressure variations were also discussed, revealing consistent similarities with other parameters and allowing for a detailed characterization of the entire process.
CHEMICAL ENGINEERING JOURNAL
(2021)
Article
Chemistry, Multidisciplinary
Mohsen Abbaspour, Fateme Fotourechi, Hamed Akbarzadeh, Sirous Salemi
Summary: In this study, water molecules in fixed and rigid (15,0) CNTs formed a hexagonal ice nanotube. The addition of methane molecules replaced the hexagonal structure of confined water molecules. When inhibitors were added to methane clathrates in CNT, benzene, [emim(+)][Cl-] IL, methanol, NaCl, and THF were found to have different inhibition behaviors. [emim(+)][Cl-] IL showed the best inhibition effects, while THF and benzene were more effective than NaCl and methanol. The IL and THF inhibitors tended to aggregate, while benzene and IL molecules were distributed along the CNT and affected the behavior of THF as an inhibitor in the CNT. Furthermore, the IL had stronger inhibition effects in the armchair (9,9) and the flexible (15,0) CNTs compared to other systems.
Article
Energy & Fuels
Shunsuke Sakurai, Zachary M. Aman, Tomoya Nonoue, Takuya Nagaoka, Motohiro Omori, Joel Choi, Eric F. May, Bruce W. E. Norris
Summary: This study examines the flow assurance risk of hydrate re-formation in gas hydrate production and proposes the use of low-heat transfer coefficient flexible hoses to control the risk. The research focuses on a field test conducted in Japan and provides simulations and data comparison to support the findings. The insights gained from this study will inform the design of future methane hydrate production facilities.
Article
Energy & Fuels
Yang Zhao, Aoxing Qu, Mingzhao Yang, Hongsheng Dong, Yang Ge, Qingping Li, Yanzhen Liu, Lunxiang Zhang, Yu Liu, Lei Yang, Yongchen Song, Jiafei Zhao
Summary: This study presents a novel approach to storing hydrate in a naturally porous material - flexible balsa wood, enabling efficient energy storage. By surface modification and adjusting the water amount, the storage efficiency and capacity can be improved. This method also offers sustainability and recyclability.
Article
Engineering, Environmental
Chun-Gang Xu, Wei Zhang, Hao-Yang Li, Chang-Wen Xiao, Xiao-Sen Li
Summary: This study combines macro experimental investigation, simulation calculation, and microscopic analysis to study the process of hydrate formation and the effects of gas molecules on hydrate nucleation. The results propose a more efficient hydrate formation method and provide directions for solving the key bottleneck of hydrate technology.
CHEMICAL ENGINEERING JOURNAL
(2022)
Article
Engineering, Chemical
Tatyana P. Adamova, Sergey S. Skiba, Andrey Yu. Manakov, Sergey Y. Misyura Kutateladze
Summary: It is found that the growth rate of carbon dioxide hydrate film is 3.5 times lower at the water-oil interface compared to the water-gas interface. This may be due to the mechanical resistance of the oil components adsorbed on the interface. The growth rate of the film also depends on the experimental procedure and the initial concentrations of carbon dioxide in the aqueous solutions.
CHINESE JOURNAL OF CHEMICAL ENGINEERING
(2023)
Article
Energy & Fuels
Yuan-Mei Song, Ru-Quan Liang, Fei Wang, Dan-Hui Zhang, Liu Yang, Deng-Bo Zhang
Summary: The study utilized carbon nanotubes to prepare sulfonated carbon nanotubes, which enhanced the methane storage capacity and formation rate in hydrate formations. Sulfonated carbon nanotubes showed excellent dispersity and stability in methane hydrate formations.
Article
Engineering, Chemical
Lingjie Sun, Huilian Sun, Tian Wang, Hongsheng Dong, Lunxiang Zhang, Lei Yang, Jiafei Zhao, Yongchen Song
Summary: This study observed the formation behavior of hydrates in quartz glass beads using a nuclear magnetic resonance system, and found that not all molecules capable of forming hydrates exhibited water absorption effects. The interfacial tension between hydrates and bound water was the driving force for water migration, and larger particle sand facilitated water migration while low initial water saturation inhibited it.
Article
Chemistry, Multidisciplinary
Muhammad A. Kamel, Aleksei S. Lobasov, Surya Narayan, Konstantin S. Pervunin, Christos N. Markides
Summary: This study investigates the growth mechanism and process of hydrate formation by observing the process on a water drop immersed in liquid cyclopentane. The study reveals that the morphology of hydrate film changes with the subcooling temperature, and the growth rate of hydrate varies with the degree of subcooling.
CRYSTAL GROWTH & DESIGN
(2023)
Article
Energy & Fuels
Yu Wei, Maeda Nobuo
Summary: This study investigates the nucleation kinetics of CO2 hydrate and compares it to the nucleation kinetics of methane/propane mixed gas hydrate. The results show that stainless-steel walls promote the nucleation of CO2 hydrate and CO2 hydrate has higher nucleation rates than methane/propane mixed gas hydrate.
Article
Energy & Fuels
Xiao-Yan Li, Xiao-Sen Li, Yi Wang, Yu Zhang, Kun Wan, Hao-Peng Zeng
Summary: The study revealed that hydrate dissociation rates were similar in hydrate simulators of different scales. Normalized dissociation rates can be used to predict hydrate dissociation rates in different simulators.
Article
Energy & Fuels
Huiru Sun, Bingbing Chen, Guojun Zhao, Yuechao Zhao, Mingjun Yang
Summary: Water-gas two-phase flow plays a crucial role in inducing methane hydrate decomposition, with higher water-gas flow rate ratio and faster depressurization rate leading to improved energy recovery and efficient avoidance of ice generation. The combination of piecewise depressurization with water-gas flow was identified as the most effective mode for gas recovery from hydrate reservoirs in the experimental scale.
Article
Energy & Fuels
Huiru Sun, Bingbing Chen, Ziming Yang, Yongchen Song, Mingjun Yang
Summary: This study focused on the effects of hydrate saturation change and multiphase flow on NGHs production behaviors at different exploitation stages. The results showed that initial hydrate saturation and water-gas flowrate were negatively correlated with the onset time of blockage and amount of hydrate reformation.
Article
Chemistry, Physical
Seyed Hossein Mazloumi, Abolfazl Shojaeian
JOURNAL OF MOLECULAR LIQUIDS
(2019)
Article
Materials Science, Composites
Parisa Fatemi Khadar, Zahra Maghsoud, Ali Dashti
POLYMER COMPOSITES
(2020)
Article
Engineering, Environmental
H. Omrani-Fard, M. H. Abbaspour-Fard, M. Khojastehpour, A. Dashti
JOURNAL OF POLYMERS AND THE ENVIRONMENT
(2020)
Article
Chemistry, Physical
Hanie Mohsenzade, Shima Foroutan, Ali Dashti, Navid Ramezanian, Hadi Roosta
JOURNAL OF MOLECULAR LIQUIDS
(2020)
Article
Materials Science, Characterization & Testing
Mohammad Ebrahim Karkhanehchin, Morteza Maghrebi, Majid Baniadam, Ali Dashti, Maryam Mokhtarifar
Summary: This study aimed to produce CNTs/polymer composite fibers by wet spinning without any solvent and investigated the effects of operating parameters on the dispersion and alignment of F-MWNTs. The experimental results showed that decreasing extrusion velocity and prolonging spinning time both contributed to the improvement of electrical conductivity and tensile strength of composite fibers.
POLYMERS & POLYMER COMPOSITES
(2021)
Article
Energy & Fuels
Shima Foroutan, Hanie Mohsenzade, Ali Dashti, Hadi Roosta
Article
Thermodynamics
Shima Foroutan, Hanie Mohsenzade, Ali Dashti, Hadi Roosta
Summary: This study compared the performance of rocking and stirred cells in KHIs tests and found that KHIs and synergists performed better in rocking cells. Energy consumption analysis revealed that rocking cells are more suitable for experimental development of KHIs.
Article
Nanoscience & Nanotechnology
Amin Abdollahi, Ali Dashti
Summary: The study focuses on the development of amine-functionalized latex nanoparticles and their surface modification with spiropyran photoswitches to create anticounterfeiting nanoinks with multilevel security and photochromic/fluorescence properties. These nanoinks are used for printing encoded optical security tags on cellulosic papers and banknotes, allowing for easy and fast authentication through sunlight irradiation.
ACS APPLIED MATERIALS & INTERFACES
(2021)
Article
Energy & Fuels
Hanie Mohsenzade, Shima Foroutan, Ali Dashti, Navid Ramezanian, Hadi Roosta
Summary: In this study, poly(N-vinylcaprolactam)s were synthesized as potent kinetic hydrate inhibitors, with modifications such as 3-mercaptopropionic acid and mercaptoacetic acid showing superior performance in reducing the growth rate of structure I and structure II hydrates. The synthesized polymers also outperformed commercial products in delaying induction time and increasing relative inhibition power values.
Article
Engineering, Chemical
Zoya Moslempour, Sepehr Sadighi, Ali Dashti, Ali Ahmadpour
Summary: The study investigates the affinity of 3A aluminosilicate adsorbents for preventing oligomerization of olefin molecules and forming green oil. Results indicate that the type of binder and the amount of ion exchange impact the performance of a 3A molecular sieve, providing design guidance for creating suitable adsorbents.
INTERNATIONAL JOURNAL OF CHEMICAL REACTOR ENGINEERING
(2022)
Article
Chemistry, Physical
Zeinab Sadat Hosseini, Amin Abdollahi, Ali Dashti, Maryam M. Matin, Amin Afkhami-Poostchi
Summary: Stimuli-responsive core-shell nanoparticles are an important class of smart polymers that exhibit changes in physical and chemical properties in response to external stimuli. In this study, two series of core-shell nanoparticles were synthesized and their responsive behaviors towards temperature, pH, and CO2 gas were investigated. The results showed that the nanoparticles with a PS-PDMAEMA structure exhibited the highest antimicrobial activity.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Nanoscience & Nanotechnology
Amin Abdollahi, Bita Ghasemi, Soma Nikzaban, Negar Sardari, Saba Jorjeisi, Ali Dashti
Summary: Increasing the security of anticounterfeiting materials has become a major challenge in recent years. This study successfully synthesized multi-functional copolymer nanoparticles with different functional groups using the emulsion polymerization method. These nanoparticles were further modified with photochromic and fluorescent derivatives to develop dual-color photoluminescent polymer nanoparticles for anticounterfeiting inks. The investigation of optical properties showed that the polarity of functional groups affected the particle size and morphology of the nanoparticles. Printing security tags on cellulose paper using the developed dual-color photoluminescent inks demonstrated excellent printability, resolution, brightness, and static-dynamic photoluminescence emission with high intensity. The study of dynamic color change in the fluorescence emission opens up new possibilities for advanced and high-security anticounterfeiting technologies.
ACS APPLIED MATERIALS & INTERFACES
(2023)
Article
Chemistry, Physical
Amin Abdollahi, Negar Hanaei, Mobin Rahmanidoust, Ali Dashti
Summary: Photoluminescent polymer nanoparticles based on organic compounds have been successfully synthesized and their photoluminescence properties have been controlled by physical modification. The change in emission color is related to the concentration and local polarity of amide groups on the surface of the nanoparticles. These nanoparticles have remarkable stability and can be applied in various fields such as photoluminescent inks, OLEDs, and optical detection.
JOURNAL OF COLLOID AND INTERFACE SCIENCE
(2023)
Article
Chemistry, Analytical
Amin Abdollahi, Ali Dashti, Mobin Rahmanidoust, Negar Hanaei
Summary: In this study, multi-color photoluminescent polymer nanoparticles were synthesized and used for printing security tags and visualizing latent fingerprints. The fluorescent polymer powders enabled fast and easy detection of individual fingerprint details through powder dusting and fluorescence imaging under UV illumination.
SENSORS AND ACTUATORS B-CHEMICAL
(2022)
Article
Polymer Science
Amin Abdollahi, Ali Dashti
Summary: In this study, photoluminescent amphiphilic nanoparticles were synthesized by doping a highly fluorescent organic chromophore onto the surface of functionalized copolymer nanoparticles. The optical properties of the constructed nanoparticles indicated a photoinduced electron transfer phenomenon. The synthesized photoluminescent polymer powder samples were used for printing encrypted information and visualizing fingerprints.
EUROPEAN POLYMER JOURNAL
(2023)
Article
Chemistry, Physical
Rajalaxmi Sahoo, C. Reshma, D. S. Shankar Rao, C. V. Yelamaggad, S. Krishna Prasad
Summary: This study investigates the influence of the flexible spacer parity of a guest photoactive liquid crystalline dimer on the photonic bandgap features of the cholesteric and twist grain boundary smectic C phases of the host molecule. The results show that the parity of the photoactive dimer affects the width of the photonic bandgap and the blue-shift of the cholesteric phase. Additionally, the parity of the dimer also affects the layer spacing and two-dimensional periodicity of the liquid crystalline phases.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Sara Rozas, Alberto Gutierrez, Mert Atilhan, Alfredo Bol, Santiago Aparicio
Summary: This study presents a multiscale theoretical investigation on the use of bifunctional hydrophobic Deep Eutectic Solvent for carbon capture using tetrapropylammonium chloride, acetic acid, and ethanolamine. The characterization includes nanoscale analysis of CO2 absorption mechanisms and changes in liquid phase properties during gas capture.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Tabouli Eric Da-yang, Alhadji Malloum, Jean Jules Fifen, Mama Nsangou, Jeanet Conradie
Summary: In this study, the potential energy of different glycine tautomers and their interaction with Cu2+ cations was investigated. The results showed that the solvation medium and the presence of Cu2+ cations influenced the stability of glycine tautomers.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Xiaoliang Gou, Nan Ye, Qingqing Han, Junjie Cui, Long Yi Jin
Summary: In this study, amphiphilic rod-coil molecules with rigid DSA parts and flexible oligoether chains were designed and their assembly capacities were investigated. The morphology of the molecular aggregates was influenced by the pH of the solution and UV light, and the aggregates showed adsorption capacity for nitroaromatic compounds.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Shuang Liu, Liyan Shan, Cong Qi, Wenhui Zhang, Guannan Li, Bei Wang, Wei Wei
Summary: Optimizing the design of styrene-butadiene-styrene copolymer (SBS) is crucial for producing cost-effective SBS modifiers and improving road quality. This study examined the influence of SBS content and molecular structure on viscosity and compatibility. The results showed that the viscosity contribution of SBS is determined by its molecular structure and phase morphology.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Artem A. Petrov, Ekaterina A. Titova, Aydar A. Akhmadiyarov, Ilnaz T. Rakipov, Boris N. Solomonov
Summary: This work focuses on the thermochemistry of solvation of azeotropes. The enthalpies of dissolution of azeotropes in different mediums were determined, and the impact of the structure of the azeotropes on their properties in solution was discussed. A correlation between enthalpies of solvation and molar refraction was used to determine the vaporization enthalpies of azeotropes for the first time. The results were found to be consistent with literature data, obtained using direct and calculated methods. These findings contribute to the analysis of the structure-property relationships of azeotropes.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
L. V. Kamaeva, E. N. Tsiok, N. M. Chtchelkatchev
Summary: Understanding the correlations between liquids and solids allows us to predict the thermodynamic parameter range favorable for the formation of intriguing solid phases by studying liquids. In this study, we experimentally and theoretically investigated an Al-Cu-Co system within different composition ranges, and identified high-temperature solid phases. Our findings demonstrated the correlation between the boundaries of different solid phases and undercooling and viscosity in the concentration area.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
R. Aneesh Kumar, S. Jamelah Al-Otaibi, Y. Sheena Mary, Y. Shyma Mary, Nivedita Acharjee, Renjith Thomas, Renjith Raveendran Pillai, T. L. Leena
Summary: In this study, the interactions between doped and pristine coronenes and adenine nucleobases were investigated using Density Functional Theory. The optimal configurations, adsorption energies, charge transfer, and electrical properties of each complex were calculated. It was found that doped coronene had stronger adsorption strength and charge transfer compared to pristine coronene. The stability of the complexes was attributed to non-covalent interactions in the interactive region. The change in electrical conductivity of coronenes after adsorption suggested their sensitivity towards DNA bases. The predicted energy gap and prolonged recovery time for adenine-coronene configurations indicated the potential application of pristine/doped coronene in DNA detection.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Gang Zhou, Yongwei Liu, Biao Sun, Zengxin Liu, Cuicui Xu, Rulin Liu, Qi Zhang, Yongmei Wang
Summary: The CFD-DEM method was used to simulate the dust deposition pattern in the bronchus of anchor digging drivers, revealing the highest dust concentration in the vortex region of the working face. The study also found a positive correlation between dust particle diameter and bronchial deposition rate, and a negative correlation with alveolar deposition rate.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Yan Zhang, Yafei Luo, Lingkai Tang, Mingyan E, Jianping Hu
Summary: This study investigates the effects of different transition metal decorations on B12N12 nanocages on the adsorption properties of nitrosourea drugs using computational methods. The results reveal the presence of weak non-covalent interactions between metals and nanocages, and the interaction between drugs and nanocages plays a significant role in drug adsorption. Compared to free drugs, the adsorption of drugs on nanocages can facilitate electron transfer, reduce energy gaps and chemical hardness, indicating activity at the target site.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
C. I. Alcolado, J. Poblete, L. Garcia-Rio, E. Jimenez, F. J. Poblete
Summary: In this study, the selective oxidation of aromatic aldehydes was investigated using Ru(VI) as a catalyst and hexacyanoferrate (III) as a cooxidant in an alkaline medium. The reaction mechanism involves complex reaction orders for the oxidant and the aromatic aldehyde, while the reaction order for Ru(VI) is one. The proposed mechanism includes two catalytic cycles and the formation and decomposition of complexes. Quantitative structure-activity relationship analysis showed that deactivating groups in the para-position enhance the process.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Inez A. Barbieri, Marcos L. S. Oliveira, Franciele S. Bruckmann, Theodoro R. Salles, Leonardo Zancanaro, Luis F. O. Silva, Guilherme L. Dotto, Eder C. Lima, Mu. Naushad, Cristiano R. Bohn Rhoden
Summary: This study evaluated the adsorption of zolpidem on magnetic graphene oxide and synthesized magnetic graphene oxide adsorbents for zolpidem removal. The best magnetic nanoadsorbent was found to have a removal percentage of 87.07% at specific pH and temperature conditions. The results suggest that the removal of zolpidem is related to the surface chemistry of the adsorbent rather than the surface area of graphene oxide. The adsorbent showed excellent adsorption efficiency and magnetic behavior, making it a promising material for removing zolpidem from aqueous solutions.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Hongyan Huang, Chunquan Li, Siyuan Huang, Yuling Shang
Summary: This study examines the sensitivity of the thermal conductivity of water-based alumina nanofluids to changes in concentration, sphericity, and temperature. The results show that volume fraction and temperature have a significant impact on the thermal conductivity, while sphericity also needs to be considered. A support vector machine regression model was created to analyze the sensitivity of the thermal conductivity to different parameters. The findings indicate that temperature, sphericity, and volume fraction are the most sensitive variables.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Correction
Chemistry, Physical
V. M. Pergamenshchik, T. Bryk, A. Trokhymchuk
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Valentyn Rudenko, Anatolii Tolochko, Svitlana Bugaychuk, Dmytro Zhulai, Gertruda Klimusheva, Galina Yaremchuk, Tatyana Mirnaya, Yuriy Garbovskiy
Summary: This paper reports on the synthesis, structural characterization, spectral and nonlinear-optical properties of glass nanocomposites made of glass forming ionic liquid crystals and nanoparticles. The study reveals that by exciting the nanocomposites within their absorption band, a control over effective optical nonlinearities can be achieved, allowing the modification of the magnitude and sign of the effective nonlinear absorption coefficient. The proposed strategy using metal-alkanoates based glass-forming ionic liquid crystals and nanoparticles shows great potential for the development of nanophotonics and plasmonics technologies.
JOURNAL OF MOLECULAR LIQUIDS
(2024)