Article
Spectroscopy
Jingyu Jiang, Shuo Zhang, Phil Longhurst, Weihua Yang, Shaojie Zheng
Summary: The research investigated the molecular structure of bituminous coal using X-ray diffraction, Raman spectroscopy, and Fourier Transform infrared spectroscopy on samples from coal mines in Northern China. Results revealed low degree of ordered microcrystalline units with a low degree of aromatic conformation, with the largest proportion of oxygenated functional groups in the samples. This study contributes to the ongoing understanding of molecular structural characteristics of bituminous coal and properties like wettability and pore structure.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2021)
Article
Energy & Fuels
Li Zhao, Ni Guanhua, Wen Yongzan, Jiang Hehe, Zhang Xiangfei, Wang Gang, Wang Zhenyang
Summary: The competitive adsorption mechanism of CH4 and CO2 was studied, revealing that CO2 adsorption is dominated by electrostatic force and is enhanced by hydrogen bonds with coal. Adsorption mainly occurs in the middle orbit, with more adsorption sites for CO2 in the low and middle orbit compared to CH4. CO2 molecules can enter ultrafine pores, resulting in larger accessible solvent pore volume and surface area compared to CH4.
Article
Chemistry, Physical
Raj Vardhan Sharma, Akshay K. Singh Choudhary, Ashis K. Adak, Sudip Maity
Summary: Eight coking and non-coking coals were studied using WAXS, FTIR, and TG/DTG-DSC techniques. Demineralization treatment had a significant influence on the functional groups and structural parameters of the coals. The combustion and kinetic parameters were also evaluated. Results showed that demineralization affected the thermal behavior and functional groups of the coals.
JOURNAL OF MOLECULAR STRUCTURE
(2023)
Article
Energy & Fuels
Kaizhong Zhang, Aoao Zou, Liang Wang, Yuanping Cheng, Chun Liu, Wei Li
Summary: A systematic understanding of the physical and chemical microstructure of coal is crucial for gas storage and migration. The variations in coal microcrystalline morphological structures have significant effects on the development of ultra-micropores. This study investigated the microcrystalline structures of original and tectonic coals and their relation to ultra-micropore evolution. The results showed that tectonic deformation factors affected the development of coal microcrystalline structures and influenced the composition of silicate minerals. Metamorphism and tectonism also had significant impacts on the evolution of structural parameters. The findings of this study are important for understanding gas sorption and diffusion behaviors in coal and the mechanism of coalbed methane generation, storage, and migration.
Article
Chemistry, Physical
K. Anitha, M. Subha, M. Tamil Elakkiya
Summary: The study explores the crystal structure and properties of the molecular complex of 3-hydroxy pyridinium 2-hydroxy benzoate using various analytical techniques. It investigates the crystal structure conformation, fluorescence spectra, NMR spectra, as well as nonlinear optical and thermal stability properties of the crystal. The research provides insights into the structural, electronic, and reactivity properties of the crystal through computational methods.
JOURNAL OF MOLECULAR STRUCTURE
(2021)
Article
Chemistry, Inorganic & Nuclear
P. Preeda, R. Ganapathi Raman, P. Sakthivel
Summary: This paper investigates the various properties of the organic nonlinear optical crystal 3,5-diisopropyl-2-hydroxybenzoic acid (35D2HBA), including its structural, thermal, optical, and nonlinear optical properties. The crystal was grown using ethanol as the solvent and characterized through various analysis techniques. The results show that the crystal has a triclinic crystal structure, has good thermal stability, and exhibits nonlinear optical properties.
INORGANIC CHEMISTRY COMMUNICATIONS
(2022)
Article
Optics
Rubby Mahajan, Ram Prakash, Sandeep Kumar, Vinay Kumar, R. J. Choudhary, D. M. Phase
Summary: In this study, Mg3(1-x)Dy3x(PO4)(2) phosphors with varying doping ratios were successfully synthesized using urea as fuel. XRD analysis confirmed a monoclinic structure for both undoped and Dy3+ (2 mol. %) doped phosphors. The PL emission spectra showed yellowish white light emission when excited with near UV light, and the band gap of Dy3+ (2 mol. %) doped Mg-3(PO4)(2) was decreased compared to undoped phosphor due to the formation of intermediate energy levels.
Article
Materials Science, Ceramics
Shagufta Gulbadan, Muhammad Azhar Khan, Ghulam Abbas Ashraf, Khalid Mahmood, Muhammad Shahid, M. Irfan, Abrar Ahmad
Summary: Ba0.6Sr0.4-xYbxFe12-yCoyO19 M-type hexaferrite was synthesized using the auto combustion sol-gel process and sintered in a muffle furnace. XRD, FTIR, Raman, and Photoluminescence spectroscopies were used to analyze the samples. The XRD patterns confirmed the single phase of the synthesized samples. Changes in Yb-Co concentration affected lattice parameters and unit cell volume. FTIR spectroscopy revealed the formation of multiple absorption bands. Raman spectra showed strain in the unit cell. PL spectra exhibited emissions in the range of 630 nm-700 nm. The substitution improved dielectric losses and AC conductivity. The findings suggest that samples with appropriate cationic substitution can be used for microwave and high-frequency applications.
CERAMICS INTERNATIONAL
(2023)
Article
Materials Science, Multidisciplinary
Mian Zhong, Xin Dai, Hongxing Xiang, Bingwei Liu, Xin Zhao, Dongshan Wei, Xiaoguang Tu, Zhihao Wang, Yan Gong, Yajun Xu, Mingxia He
Summary: By doping reduced graphene oxide into epoxy resin, a composite coating with excellent mechanical and electrical properties can be obtained. Characterization techniques such as Raman spectrum testing and X-ray diffractometer can effectively confirm the physical properties of the composite coating, while terahertz spectroscopy analysis reveals the spectral characteristics of the composite coating.
Article
Energy & Fuels
Fangfang Wang, Xiaodong Zhang, Caifang Wu, Shuo Zhang, Kang Wang
Summary: This study investigated the mechanism of supercritical carbon dioxide (SC-CO2) extraction in technically deformed coals under deep coal seam conditions. The results showed that SC-CO2 had a significant dissolution effect on the organic functional groups and minerals of technically deformed coal, and the effect increased with the degree of coal tectonic deformation. The dissolution effect on carbonate minerals was the most significant, followed by clay minerals, while oxide minerals were relatively stable and showed little reaction. The response characteristics of porosity, permeability, and adsorption caused by changes in mineral and organic composition should be considered when injecting CO2 into deep coal seams.
Article
Engineering, Environmental
Yanxia Wang, Xiude Hu, Tuo Guo, Wengang Tian, Jian Hao, Qingjie Guo
Summary: The study investigated the effects of H2O and O2 on the CO2 adsorption performance of CNT-PEI, finding that H2O had the highest adsorption energy and diffusion coefficient, leading to increased CO2 capacity. O2 had a minor impact on CO2 capacity for fresh adsorbent, but its oxidation effect on amino groups was significant, prolonging desorption time.
CHEMICAL ENGINEERING JOURNAL
(2021)
Article
Materials Science, Ceramics
Ritesh Verma, Ankush Chauhan, Neha, Khalid Mujasam Batoo, Rajesh Kumar, Muhammad Hadhi, Emad H. Raslan
Summary: This study investigates the effect of annealing temperature on the structural, morphological, and optical properties of BiFeO3 nanoparticles synthesized through sol-gel auto-combustion method. X-ray diffraction confirmed a rhombohedral structure with a decreasing secondary phase as temperature increases. Raman analysis showed a unique peak in BFO3.
CERAMICS INTERNATIONAL
(2021)
Article
Materials Science, Ceramics
Misbah Idrees, Muhammad Azhar Khan, Shagufta Gulbadan, Khalid Mahmood, Ghulam Abbas Ashraf, Majid Niaz Akhtar
Summary: The structural and dielectric properties of Gadolinium substituted U-type hexaferrites were investigated. The samples were synthesized via a Sol-gel auto combustion route and characterized by various spectroscopic techniques. The results suggested that the prepared materials can be used extensively for different Micro-Wave attenuation purposes.
CERAMICS INTERNATIONAL
(2022)
Article
Energy & Fuels
Ruihui Li, Zhaolong Ge, Zepeng Wang, Zhe Zhou, Jing Zhou, Chengtian Li
Summary: Water plays a crucial role in carbon dioxide enhanced coalbed methane exploitation and CO2 geological sequestration. It can lead to the dissolution of minerals, increase in coal structural defects damage, reduction in aromatic structures and oxygen-containing functional groups, and expansion of pore and fracture volume in coal samples.
Article
Spectroscopy
Barbara Rojek, Maria Gazda, Alina Plenis
Summary: Detection of incompatibility between an active pharmaceutical ingredient (API) and excipients plays a crucial role in the pre-formulation process of solid dosage form technology development. In this study, Fourier transform infrared (FTIR), Raman spectroscopy, and high-temperature X-ray diffraction (HT-XRD) were used to identify incompatibility, while differential scanning calorimetry (DSC) served as a reference. Multivariate analysis was employed to interpret FTIR and Raman data. The experiments revealed the physical incompatibility of naproxen (NPX) with methylcellulose (MC), hydroxypropylmethylcellulose (HPMC), hydroxyethylcellulose (HEC), sodium starch glycolate (SSG), and sodium carboxymethylcellulose (CMC).
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(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.