Article
Energy & Fuels
Biao Liu, Linsen Zhan, Hailong Lu, Xindi Lu, Wenjiu Cai
Summary: In this study, the formation mechanism of THF hydrate was investigated using low-field NMR. A quantitative relationship between NMR T-2 and the mass of THF hydrate was established. The results showed that T-2 of THF solution was controlled by temperature and THF concentration, and the formation of THF hydrate was influenced by temperature and THF concentration.
Article
Engineering, Environmental
Yaning Kong, Fei Wang, Guodong Zhang, Xiaolin Wang
Summary: This study focuses on improving the formation kinetics and hydrogen storage capacity of hydrogen hydrate using nano promoters. The results show that nano promoters can effectively enhance the formation kinetics of H2/THF hydrate, leading to a higher hydrogen storage capacity. Among the nano promoters, -SO3- @PSNS performs the best, surpassing conventional kinetic promoters in terms of effectiveness and applicability.
CHEMICAL ENGINEERING JOURNAL
(2023)
Article
Chemistry, Multidisciplinary
Hongyang Ren, Diya Hou, Shanyu Zhou, Bing Wang, Deming Yang, Zhengyu Luo
Summary: Currently, research on the treatment of oily sludge primarily focuses on optimizing deoiling effects and investigating deoiling mechanisms, while neglecting the influence of petroleum components on the properties and treatment of oily sludge. In this study, petroleum substances in three types of oil sludge were extracted using biosurfactant cleaning technology, and the effect of petroleum components on the cleaning process was explored. The results showed that the compound biosurfactant had a high oil-removal rate of 92.2%, and the cleaning difficulty increased with the heavy components present in the oily sludge. Additionally, it was found that the compound biosurfactant had a good elution effect on polycyclic aromatic hydrocarbons but had difficulty eluting asphaltene components.
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
Chemistry, Physical
Zhikai Liang, Xiaobing Lan, Jun Chen, Jianjian Wu, Bin Deng
Summary: Heavy metal ions in waste water can be potentially treated by hydrate formation and dissociation. This study investigated the removal of nickel chloride as a heavy metal solution using methane hydrate. Factors such as stirring speed, hydration time, temperature, and concentration were considered. The study found that adherence of heavy metal solution on the hydrate surface and accumulation of wrapped heavy metal solution were the main reasons for impurity in heavy metal removal. A flushing water method was proposed to improve the removal efficiency. The study also suggested controlling hydrate formation conditions and combining hydrate-based method with other methods to enhance heavy metal removal efficiency.
JOURNAL OF MOLECULAR LIQUIDS
(2023)
Article
Chemistry, Physical
Xiangshen Meng, Jian Li, Yueqiang Lin, Xiaodong Liu, Decai Li, Zhenghong He
Summary: In this work, the precipitation and separation of doped colloidal y-Fe2O3@OA MNPs resulting from the magnetic field accompanied by an isotropic-nematic phase transition are more efficient. The residual ion concentrations have decreased distinctly using a low gradient magnetic field with the phase transition. As a result, the commercial nematic LC can be purified by this approach based on nanotechnology.
JOURNAL OF COLLOID AND INTERFACE SCIENCE
(2023)
Article
Chemistry, Physical
Xin Huang, Jyotirmoy Mandal, Jin Xu, Aaswath P. Raman
Summary: As water scarcity becomes more serious due to climate change, there is increasing interest in finding low-carbon ways to generate fresh water from saline sources. Conventional desalination techniques require large energy inputs, while solar desalination is limited by seasonal and geographical factors. In this study, a passive cooling method that uses outer space as the ultimate heat sink is proposed and demonstrated to freeze and desalinate salt water.
Article
Energy & Fuels
Hanmei Zhang, Chang Li, Jun Chen, Jianjian Wu, Xiaobing Lan, Zhikai Liang, Bin Deng
Summary: Heavy metal is a potential threat to human, and hydrate-based method was one possible approach for its removal. Molecular simulation using Gromacs-2020.3 software was conducted to investigate the mechanism of heavy metal removal by hydrate-based method. The simulation results showed that CH4 hydrate formed in NiCl2 solution, and the main solid structure was hydrate or interfacial hydrate. All nickel chloride was repelled out of CH4 hydrate during the simulation, indicating the salt-removing effect. Furthermore, the simulation results revealed that chloride ion promoted the nucleation of CH4 hydrate regardless of the cation being Na+ or Ni2+. In addition, both Structure I (sI) and Structure II (sII) CH4 hydrates were formed in NiCl2 solution, with sI type hydrate being the predominant structure.
Article
Geography, Physical
Jiazuo Zhou, Wenpeng Liang, Xiangchuan Meng, Changfu Wei
Summary: The research presents a generalized phase equilibrium equation for frozen soils and hydrate-bearing sediments, considering capillary and osmotic pressures, and models of soil freezing characteristic curve (SFCC) or soil hydration characteristic curve (SHCC). These tools help to estimate the physicomechanical properties that depend on the fraction of the liquid or solid phase in porous media.
PERMAFROST AND PERIGLACIAL PROCESSES
(2021)
Article
Green & Sustainable Science & Technology
Emma Sadler, Colin R. Crick
Summary: The study introduces a simple and cost-effective PDMS-coated superhydrophobic filter, showing great potential for high separation efficiencies and high fluid flux in many application areas requiring oil-water separation.
SUSTAINABLE MATERIALS AND TECHNOLOGIES
(2021)
Article
Astronomy & Astrophysics
Jeffrey A. Priest, Jocelyn L. Hayley, Jiechun Wu
Summary: Gas hydrate-filled fractures and veins in fine-grained deep water marine sediments can affect sediment strength and consolidation, potentially leading to slope failures. Experimental results showed that the strength and stiffness of hydrate-bearing specimens increased with vein diameter and confining stress, with the impact of confining stresses reducing for larger diameter veins.
EARTH AND SPACE SCIENCE
(2021)
Article
Materials Science, Paper & Wood
Mengling Wang, Zhaoqian Li, An Chen, Qiang Tian, Xun Liu, Qingping Luo, Chonghua Pei
Summary: Cellulose hydrogels, specifically natural bacterial cellulose (BC) hydrogels, have been introduced as a potential method for removing water from oil-water emulsions. Treatment of BC hydrogels has been shown to significantly increase separation rates by reducing water holding capacity, providing a potential alternative approach for improving cellulose materials in oil/water separation.
Article
Engineering, Chemical
Jian-Jian Wu, Meng-Qi Kang, Feng-Long Hu, Yu-Hao Yan, Chen-Zhe Liu, Jun Chen, Zhi-Kai Liang, Yao-Song Zeng, Jian-Hong Jiang, Bin Deng
Summary: In this study, freezing/thawing method and hydrate-based method were compared for the removal of chromium hydroxide sulfate near the melting point of ice. The freezing/thawing method showed higher efficiency and was recommended for chromium hydroxide sulfate removal when the concentration was below 800 ppm.
SEPARATION AND PURIFICATION TECHNOLOGY
(2021)
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
Engineering, Environmental
B. Ma, J. L. Hayley, J. A. Priest
Summary: This study investigates the behavior of methane hydrates under pressure and strain conditions in the Arctic region. The results reveal that the strain rate of methane hydrates affects their compressive strength and behavior. Specimens with high slenderness ratios tend to experience brittle buckling failure under high strain rates, while specimens with low slenderness ratios exhibit more ductile behavior under low strain rates. Under constant stresses, the hydrates undergo plastic deformation, with low slenderness ratio specimens showing extensive cracking and shear dislocations, and high slenderness ratio specimens experiencing large out-of-plane deformations. The study also finds that hydrate veins hinder sediment consolidation, especially at shallow burial depths.
COLD REGIONS SCIENCE AND TECHNOLOGY
(2022)
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)