Article
Chemistry, Organic
Sangay Moktan, Mahendra K. V. Rotta, Suvendu Halder, Priyanka Pradhan, Pavan K. Kancharla
Summary: A simple and useful method for the synthesis of ethers and thioethers via Bronsted acid-catalyzed activation of ortho-[1-(p-MeOphenyl)vinyl]benzoate (PMPVB) donors derived from alcohols is reported. The mechanism involves the remote activation of an active alkene, followed by intramolecular 5-exo-trig cyclization to form a reactive intermediate that can react with alcohols and thiol nucleophiles via a substrate dependent S(N)1 or S(N)2 mechanism, providing easy access to ether and thioether functionalities, respectively.
ORGANIC & BIOMOLECULAR CHEMISTRY
(2023)
Article
Chemistry, Physical
Maciej J. Szary
Summary: This study investigates doping of MoS2 for enhanced H2S detection, finding that phosphorus increases charge transfer during H2S adsorption compared to pristine MoS2, while Ge and Cl doping show no benefit. Doping does not hinder the recovery of adsorption sites, and H2S adsorption energy is significantly higher than O-2 and N-2.
APPLIED SURFACE SCIENCE
(2021)
Article
Chemistry, Physical
Baoliang Li, Qu Zhou, Ruochen Peng, Yiming Liao, Wen Zeng
Summary: In this study, the adsorption behaviors of four typical SF6 decomposing gases on MoS2 and Sc-MoS2 surfaces were investigated using density functional theory. It was found that Sc-MoS2 has excellent adsorption properties for SO2, SOF2, and SO2F2, but weak adsorption for H2S. The introduction of Sc atom as the active center significantly enhanced the adsorption effect for target gases.
APPLIED SURFACE SCIENCE
(2021)
Article
Chemistry, Physical
S. Escolastico, M. Balaguer, C. Solis, F. Toldra-Reig, S. Somacescu, U. Gerhards, A. Aguadero, K. Haas-Santo, R. Dittmeyer, J. M. Serra
Summary: Catalytic membrane reactors based on H2-separation membranes can enhance the performance of thermodynamically-limited reactions. This study characterizes the stability of La5.4WO11.1-& delta; protonic membrane material under H2S conditions and demonstrates the changes in crystalline structure and transport properties caused by the incorporation of sulfur.
JOURNAL OF MATERIALS CHEMISTRY A
(2023)
Article
Chemistry, Organic
Shengzu Duan, Yujin Zi, Ya Du, Jielun Cong, Xiaotong Sun, Hong Jing, Jingfeng Zhao, Wen Chen, Xiaodong Yang
Summary: A unique transition-metal-free radical thiolation of 2-azaallylanions has been developed. This robust protocol enables the mild and chemoselective coupling between 2-azaallylanions and thiosulfonates to access alpha-amino sulfides. Mechanistic studies provide significant evidence for this radical thiolation reaction.
Article
Chemistry, Physical
Monu, Binod Kumar Oram, Biman Bandyopadhyay
Summary: This study investigates the PESs of H2O-H2S mixed clusters, revealing the impact of replacing conventional H-bonds with sulfur-centered H-bonds on structure and energetics. The binding energies and energy spread increase with the number of H2O monomers. Cage structures are preferred with increasing H2S moieties.
COMPUTATIONAL AND THEORETICAL CHEMISTRY
(2022)
Article
Nanoscience & Nanotechnology
Zhifeng He, Yuchen Jiang, Xin Cui, Zeyi Liu, Xin Meng, Jiafeng Wan, Fangwei Ma
Summary: Molybdenum-based catalysts have been proven effective in nitrogen reduction reactions due to their high affinity towards nitrogen. This study demonstrates the improved electrocatalytic performance of nitrogen reduction to ammonia through the design of heterostructures and the introduction of defects, such as vacancies and heteroatom doping, in Mo-based catalysts.
ACS APPLIED NANO MATERIALS
(2022)
Article
Chemistry, Physical
Hiroki Miura, Tomoya Toyomasu, Hidenori Nishio, Tetsuya Shishido
Summary: A gold-catalyzed thioetherification of C(sp(3))-O bonds is reported, using allyl phosphates and thiosilanes as substrates. The reaction proceeds efficiently under mild conditions, providing the corresponding allyl sulfides with excellent yields. The study also demonstrates the thioetherification of C-O bonds in benzyl and propargyl phosphates, as well as the high enantiomeric purity achieved in the reaction of an optically active benzyl phosphate. Soluble gold species are identified as the responsible catalysts, with cationic gold species on ZrO2-supported gold nanoparticles serving as the active catalytic species.
CATALYSIS SCIENCE & TECHNOLOGY
(2022)
Article
Chemistry, Physical
Gajanan M. Hingangavkar, Sujit A. Kadam, Yuan-Ron Ma, Ramesh N. Mulik, Vikas B. Patil
Summary: Facile hydrothermal route was employed to prepare MoS2 nanoparticles (NPs) with superior specific surface area and hexagonal lattice structure. The MoS2 NPs demonstrated excellent gas sensing performance towards H2S gas, with a fast response and recovery time. It could detect as low as 1 ppm concentration of H2S gas.
JOURNAL OF ALLOYS AND COMPOUNDS
(2023)
Article
Chemistry, Multidisciplinary
Shama Sadaf, Hongpeng Zhang, Ali Akhtar
Summary: In this study, a series of MoS2 and NiO nanocomposites were synthesized and used for detecting low concentrations of H2S gas. The MNO-10 gas sensor exhibited the highest response value, good selectivity, and long-term stability.
Article
Instruments & Instrumentation
Zhaolun Cui, Xiaoxing Zhang, Dachang Chen, Yi Li, Yufei Wang, Yin Zhang, Hao Wang
Summary: This paper proposes a method combining ultraviolet absorption spectroscopy and least squares fitting for the quantitative calculation of sulfur dioxide, carbon disulfide, and hydrogen sulfide in the decomposition products of insulating gas sulfur hexafluoride. By finding a modified equation for hydrogen sulfide, accurate detection of all three gases was achieved. The interference of high concentrations of sulfur dioxide and carbon disulfide on the calculation of hydrogen sulfide was positively correlated with these gas concentrations.
APPLIED SPECTROSCOPY
(2021)
Article
Biochemistry & Molecular Biology
Wisuttaya Worawalai, Nantaporn Surachaitanawat, Phonpimon Khongchai, Viwat Vchirawongkwin, Thammarat Aree, Preecha Phuwapraisirisan
Summary: The study successfully synthesized 28 furofuran lignans using a semi-synthesis method, and these products showed enhanced bioactivity and potential applications. Lignans 7f and 7o exhibited the strongest anti-diabetic activity and inhibited both alpha-glucosidases and free radicals.
Article
Chemistry, Physical
Min Huang, Acharya Dinesh, Songtao Wu
Summary: This study investigates the modulation effects of S vacancy and Mo edges on the adsorption and dissociation behaviors of toxic gases (H2S and SO2) on MoS2 through first-principles calculations. The results suggest that MoS2 is a potential candidate for detecting and removing toxic gases, with S vacancy and Mo edges playing a key role in the process.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2021)
Article
Chemistry, Organic
Yi-Ping Cai, Fang-Yuan Nie, Qin-Hua Song
Summary: A metal-free, photocatalyst-free photochemical system has been developed for the direct alkylation of thiophenols using electron donor-acceptor complexes. These complexes have a broad range of visible-light absorption and can effectively trigger the reaction under sunlight.
JOURNAL OF ORGANIC CHEMISTRY
(2021)
Article
Chemistry, Analytical
Xiangbao Liu, Shuang Fu, Hongguang Zhang, Shuang Li, Zhenzhen Zhu, Song Chen, Huiling Hou, Wenqiang Chen, Peng Hou
Summary: In this work, a GSH silent fluorescent probe (COT-NBD) was developed for simultaneous detection of H2S and Cys/Hcy. The probe showed distinct signals for H2S (blue) and Cys/Hcy (green), with remarkable fluorescence enhancement, high sensitivity, and desirable selectivity. It also exhibited high cell membrane permeability and could be used for imaging H2S and Cys/Hcy in living cells and zebrafish.
MICROCHEMICAL JOURNAL
(2023)
Article
Energy & Fuels
Yingna Du, Chen Huang, Wei Jiang, Qiangwei Yan, Yongfei Li, Gang Chen
Summary: In this study, anionic surfactants modified hydrotalcite was used as a flow improver for crude oil under low-temperature conditions. The modified hydrotalcite showed a significant viscosity reduction effect on crude oil. The mechanism of the modified hydrotalcite on viscosity and pour point of crude oil was explored through characterization and analysis of the modified hydrotalcite and oil samples.
Article
Energy & Fuels
Mohammad Saeid Rostami, Mohammad Mehdi Khodaei
Summary: In this study, a hybrid structure, MIL-53(Al)@MWCNT, was synthesized by combining MIL-53(Al) particles and -COOH functionalized multi-walled carbon nanotube (MWCNT). The hybrid structure was then embedded in a polyethersulfone (PES) polymer matrix to prepare a mixed matrix membrane (MMM) for CO2/CH4 and CO2/N2 separation. The addition of MWCNTs prevented MIL-53(Al) aggregation, improved membrane mechanical properties, and enhanced gas separation efficiency.
Article
Energy & Fuels
Yunlong Li, Desheng Huang, Xiaomeng Dong, Daoyong Yang
Summary: This study develops theoretical and experimental techniques to determine the phase behavior and physical properties of DME/flue gas/water/heavy oil systems. Eight constant composition expansion (CCE) tests are conducted to obtain new experimental data. A thermodynamic model is used to accurately predict saturation pressure and swelling factors, as well as the phase boundaries of N2/heavy oil systems and DME/CO2/heavy oil systems, with high accuracy.
Article
Energy & Fuels
Morteza Afkhamipour, Ebad Seifi, Arash Esmaeili, Mohammad Shamsi, Tohid N. Borhani
Summary: Non-conventional amines are being researched worldwide to overcome the limitations of traditional amines like MEA and MDEA. Adequate process and thermodynamic models are crucial for understanding the applicability and performance of these amines in CO2 absorption, but studies on process modeling for these amines are limited. This study used rate-based modeling and Deshmukh-Mather method to model CO2 absorption by DETA solution in a packed column, validated the model with experimental data, and conducted a sensitivity analysis of mass transfer correlations. The study also compared the CO2 absorption efficiency of DETA solution with an ionic solvent [bmim]-[PF6] and highlighted the importance of finding optimum operational parameters for maximum absorption efficiency.
Article
Energy & Fuels
Arastoo Abdi, Mohamad Awarke, M. Reza Malayeri, Masoud Riazi
Summary: The utilization of smart water in EOR operations has gained attention, but more research is needed to understand the complex mechanisms involved. This study investigated the interfacial tension between smart water and crude oil, considering factors such as salt, pH, asphaltene type, and aged smart water. The results revealed that the hydration of ions in smart water plays a key role in its efficacy, with acidic and basic asphaltene acting as intrinsic surfactants. The pH also influenced the interfacial tension, and the aged smart water's interaction with crude oil depended on asphaltene type, salt, and salinity.
Article
Energy & Fuels
Dongao Zhu, Kun Zhu, Lixian Xu, Haiyan Huang, Jing He, Wenshuai Zhu, Huaming Li, Wei Jiang
Summary: In this study, cobalt-based metal-organic frameworks (Co-based MOFs) were used as supports and co-catalysts to confine the NHPI catalyst, solving the leaching issue. The NHPI@Co-MOF with carboxyl groups exhibited stronger acidity and facilitated the generation of active oxygen radicals O2•, resulting in enhanced catalytic activity. This research provides valuable insights into the selection of suitable organic linkers and broadens the research horizon of MOF hybrids in efficient oxidative desulfurization (ODS) applications.
Article
Energy & Fuels
Edwin G. Hoyos, Gloria Amo-Duodu, U. Gulsum Kiral, Laura Vargas-Estrada, Raquel Lebrero, Rail Munoz
Summary: This study investigated the impact of carbon-coated zero-valent nanoparticle concentration on photosynthetic biogas upgrading. The addition of nanoparticles significantly increased microalgae productivity and enhanced nitrogen and phosphorus assimilation. The presence of nanoparticles also improved the quality of biomethane produced.
Article
Energy & Fuels
Yao Xiao, Asma Leghari, Linfeng Liu, Fangchao Yu, Ming Gao, Lu Ding, Yu Yang, Xueli Chen, Xiaoyu Yan, Fuchen Wang
Summary: Iron is added as a flocculant in wastewater treatment and the hydrothermal carbonization (HTC) of sludge produces wastewater containing Fe. This study investigates the effect of aqueous phase (AP) recycling on hydrochar properties, iron evolution and environmental assessment during HTC of sludge. The results show that AP recycling process improves the dewatering performance of hydrochar and facilitates the recovery of Fe from the liquid phase.
Article
Energy & Fuels
He Liang, Tao Wang, Zhenmin Luo, Jianliang Yu, Weizhai Yi, Fangming Cheng, Jingyu Zhao, Xingqing Yan, Jun Deng, Jihao Shi
Summary: This study investigated the influence of inhibitors (carbon dioxide, nitrogen, and heptafluoropropane) on the lower flammability limit of hydrogen and determined the critical inhibitory concentration needed for complete suppression. The impact of inhibitors on explosive characteristics was evaluated, and the inhibitory mechanism was analyzed with chemical kinetics. The results showed that with the increase of inhibitor quantity, the lower flammability limit of hydrogen also increased. The research findings can contribute to the safe utilization of hydrogen energy.
Article
Energy & Fuels
Zonghui Liu, Zhongze Zhang, Yali Zhou, Ziling Wang, Mingyang Du, Zhe Wen, Bing Yan, Qingxiang Ma, Na Liu, Bing Xue
Summary: In this study, high-performance solid catalysts based on phosphotungstic acid (HPW) supported on Zr-SBA-15 were synthesized and evaluated for the one-pot conversion of furfural (FUR) to γ-valerolactone (GVL). The catalysts were characterized using various techniques, and the ratio of HPW and Zr was found to significantly affect the selectivity of GVL. The HPW/Zr-SBA-15 (2-4-15) catalyst exhibited the highest GVL yield (83%) under optimized reaction conditions, and it was determined that a balance between Bronsted acid sites (BAS) and Lewis acid sites (LAS) was crucial for achieving higher catalytic performance. The reaction parameters and catalyst stability were also investigated.
Article
Energy & Fuels
Michael Stoehr, Stephan Ruoff, Bastian Rauch, Wolfgang Meier, Patrick Le Clercq
Summary: As part of the global energy transition, an experimental study was conducted to understand the effects of different fuel properties on droplet vaporization for various conventional and alternative fuels. The study utilized a flow channel to measure the evolution of droplet diameters over time and distance. The results revealed the temperature-dependent effects of physical properties, such as boiling point, liquid density, and enthalpy of vaporization, and showed the complex interactions of preferential vaporization and temperature-dependent influences of physical properties for multi-component fuels.
Article
Energy & Fuels
Yuan Zhuang, Ruikang Wu, Xinyan Wang, Rui Zhai, Changyong Gao
Summary: Through experimental validation and optimization of the chemical kinetic model, it was found that methanol can accelerate the oxidation reaction of ammonia, and methanol can be rapidly oxidized at high concentration. HO2 was found to generate a significant amount of OH radicals, facilitating the oxidation of methanol and ammonia. Rating: 7.5/10.
Article
Energy & Fuels
Radwan M. EL-Zohairy, Ahmed S. Attia, A. S. Huzayyin, Ahmed I. EL-Seesy
Summary: This paper presents a lab-scale experimental study on the impact of diethyl ether (DEE) as an additive to waste cooking oil biodiesel with Jet A-1 on combustion and emission features of a swirl-stabilized premixed flame. The addition of DEE to biodiesel significantly affects the flame temperature distribution and emissions. The W20D20 blend of DEE, biodiesel, and Jet A-1 shows similar flame temperature distribution to Jet A-1 and significantly reduces UHC, CO, and NOx emissions compared to Jet A-1.
Article
Energy & Fuels
Jiang Bian, Ziyuan Zhao, Yang Liu, Ran Cheng, Xuerui Zang, Xuewen Cao
Summary: This study presents a novel method for ammonia separation using supersonic flow and develops a mathematical model to investigate the condensation phenomenon. The results demonstrate that the L-P nucleation model accurately characterizes the nucleation process of ammonia at low temperatures. Numerical simulations also show that increasing pressure and concentration can enhance ammonia condensation efficiency.
Article
Energy & Fuels
Shiyuan Pan, Xiaodan Shi, Beibei Dong, Jan Skvaril, Haoran Zhang, Yongtu Liang, Hailong Li
Summary: Integrating CO2 capture with biomass-fired combined heat and power (bio-CHP) plants is a promising method for achieving negative emissions. This study develops a reliable data-driven model based on the Transformer architecture to predict the flowrate and CO2 concentration of flue gas in real time. The model validation shows high prediction accuracy, and the potential impact of meteorological parameters on model accuracy is assessed. The results demonstrate that the Transformer model outperforms other models and using near-infrared spectral data as input features improves the prediction accuracy.