Article
Energy & Fuels
Hai Zhang, Huang Qin, Xin Wang, Yilin Pan, Ping He, Jiang Wu, Weidong Fan
Summary: Based on DFT and MLR studies, this work focuses on the properties and adsorption mechanism of oxygen-containing functional groups (OFGs) on activated carbons towards elemental mercury. The dominant OFGs identified are CO2-1, CO3-7, C2O-2, C2O2-9, and C2O3-24. The strongest adsorption is obtained when mercury is co-adsorbed by OFGs and substrate. A regression equation is successfully established to predict mercury adsorption energy. This theoretical work provides new insights for the development of mercury adsorbents with OFG synergy.
Article
Engineering, Environmental
Jisai Chen, Zhijie Huang, Yongxian Zhou, Jiaxing Li, Sun Hu, Wenjun Huang, Zan Qu
Summary: This study developed atomically dispersed manganese confined within a carbon framework doped with heteroatoms (Mn-N4-C) to enhance the adsorption of elemental mercury at interfaces. The surrounding coordination environment of individual metal sites primarily determined the adsorption performance of Mn-N4-C. Mn-N4-C with abundant oxygen-containing functional groups (Mn-N4-C(EDA)) exhibited excellent affinity towards elemental mercury, surpassing most carbon-based materials. It also showed tolerance towards various industrial flue gas conditions and was promoted by NO, HCl, and H2O, making it suitable for practical industrial applications.
JOURNAL OF HAZARDOUS MATERIALS
(2024)
Article
Energy & Fuels
Sinang Choi, Sang-Sup Lee
Summary: Activated carbon injection upstream of a particulate matter control device is commonly used to control mercury in coal-fired flue gas. Nitrogen oxides and hydrogen chloride can enhance the efficiency of activated carbon for mercury removal. Among different chloride compounds impregnated on activated carbon, copper chloride impregnated activated carbon showed the highest mercury adsorption efficiency under specific conditions.
Article
Environmental Sciences
Yuran Li, Yuting Lin, Junxiang Guo, Zhicheng Xu, Bin Wang, Tingyu Zhu
Summary: The study reveals that carbon consumption in activated carbon technology for flue gas purification primarily originates from the reaction of H2SO4 and C, as well as the thermal decomposition of oxygen-containing functional groups. Interestingly, carbon consumption does not increase as SO2 concentration rises. Additionally, in the cyclic adsorption-regeneration process, carbon consumption is significantly higher in the first cycle due to the decomposition of functional groups within the activated carbon itself.
ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH
(2022)
Article
Engineering, Environmental
Xue Yang, Haiqian Zhao, Zhibin Qu, Mingqi He, Ziyu Tang, Shiwei Lai, Zhonghua Wang
Summary: The distribution of oxygen-containing functional groups on the carbon surface affects the efficiency of Electro-Fenton treatment of high-concentration formaldehyde wastewater. Different oxygen-containing functional groups have different effects on the adsorption of formaldehyde, with some functional groups enhancing the adsorption of formaldehyde on the carbon surface.
JOURNAL OF ENVIRONMENTAL CHEMICAL ENGINEERING
(2021)
Article
Chemistry, Multidisciplinary
Ju-Hwan Kim, Seok-Hwi Kim, Byung-Joo Kim, Hye-Min Lee
Summary: The correlation between oxygen functional groups (OFGs) in activated carbon (AC) and their electrochemical characteristics was investigated. Heat treatment in hydrogen gas was found to improve the electrochemical performance of electric double-layer capacitors (EDLCs) without destroying the pore characteristics of AC.
Article
Energy & Fuels
Min Lv, Guangqian Luo, Renjie Zou, Qingyu Ji, Can Fang, Li Wang, Xian Li, Hong Yao
Summary: Co-pyrolysis of coconut shell activated carbon (AC) and polyvinyl chloride (PVC) was used to prepare a chloride-loading adsorbent with high mercury removal efficiency. The formation mechanism of C-Cl functional groups during the co-pyrolysis process was investigated, and two paths were identified. The first path involved the reformation of organic chlorine in PVC at low temperature, while the second path involved the combination of gaseous HCl with newly exposed carbon atom sites at high temperature. The study also revealed the promoting and inhibiting effects of NO, O2, and SO2 on the mercury removal ability of the chloride-loading adsorbent.
Article
Engineering, Environmental
Shuhui Zhang, Liwei Wang, Yan Zhang, Fan Cao, Qie Sun, Xiaohan Ren, Ronald Wennersten
Summary: The study explores the influence mechanism of hydroxyl groups on the adsorption of SO2 by activated carbon through experiments and simulations. The results show that hydroxyl functional groups promote the physical adsorption of SO2 on activated carbon by increasing its polarity. The hydroxyl groups also enhance the physisorption of SO2 and H2O through dipole-dipole interactions and hydrogen bonding. The coexistence of SO2, H2O, and O2 on activated carbon promotes their mutual physisorption through non-covalent interactions.
JOURNAL OF ENVIRONMENTAL CHEMICAL ENGINEERING
(2022)
Review
Materials Science, Multidisciplinary
Chunjuan Qiu, Lili Jiang, Yige Gao, Lizhi Sheng
Summary: The introduction of oxygen-containing functional groups in carbon materials can improve the specific capacity of supercapacitors, but the influence mechanism on the structure and physico-chemical properties of carbon-based electrode materials needs further exploration.
MATERIALS & DESIGN
(2023)
Article
Engineering, Chemical
Jingjing Yao, Dong-Sheng Li, Jianbei Qiu, Xuhui Xu, Hui Ying Yang
Summary: Density functional theory was employed to investigate the adsorption mechanism of B(OH)3 and B(OH)4- on different graphene models. The interaction forces between B(OH)3/B(OH)4- and oxygen-containing groups were quantified, highlighting their role in determining the differential adsorption. Hydrogen bonding, van der Waals interaction, and steric effects were found to be the main contributing factors to the adsorption process.
SEPARATION AND PURIFICATION TECHNOLOGY
(2024)
Article
Chemistry, Multidisciplinary
Runping Wu, Qing Ye, Kai Wu, Lanyang Wang, Hongxing Dai
Summary: The study found that high activation temperature and activator amount can enhance the textural properties and oxygen functional groups of corn kernel-derived porous carbon adsorbents, thereby increasing their CO2 adsorption capacity and selectivity.
JOURNAL OF CO2 UTILIZATION
(2021)
Article
Chemistry, Physical
Xiang Xu, Yang Guo, Rui Shi, Hongyu Chen, Yankun Du, Baogen Liu, Zheng Zeng, Ziyu Yin, Liqing Li
Summary: The study prepared cork wine stoppers into VOCs adsorption materials through ammonia activation, showing good adsorption performance. The mechanism of hierarchical porous carbon in VOCs adsorption was analyzed using GCMC and DFT methods, providing important reference value for the preparation and application of cork biomass carbon.
APPLIED SURFACE SCIENCE
(2021)
Article
Engineering, Environmental
Choe Earn Choong, Kien Tiek Wong, Hyeseong Kim, Seok Byum Jang, So Yeon Yoon, In Wook Nah, Wooyul Kim, Sang-Hyoun Kim, Byong-Hun Jeon, Yeomin Yoon, Min Jang
Summary: The presence of oxygen vacancies in silicon oxycarbide contributes to the photocatalytic activity of Si-PSAC under UV irradiation, leading to improved performance and increased O-2(center dot-) production efficiency. Si-PSAC showed effective removal of dyes and endocrine-disrupting chemicals under UVA(365) irradiation, with a significantly extended lifespan.
Article
Chemistry, Physical
Yang Li, Huanpeng Liu, Xiang Li, Hangyi Yu
Summary: The hydrogen adsorption behavior of carbon nanotubes decorated with -CO, -OH, and -COOH was investigated. The results show that the presence of oxygen-containing groups enhances the adsorption of hydrogen molecules, with -COOH exhibiting the strongest adsorption. Additionally, arranging -COOH molecules adjacent to each other effectively expands the adsorption surface and reduces steric hindrance.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2022)
Article
Engineering, Environmental
Longgang Chu, Zhaoyue Sun, Long Cang, Xinghao Wang, Guodong Fang, Juan Gao
Summary: In this study, aromatic molecule-modified CNTs with target single oxygen groups were synthesized and used as catalysts to investigate the explicit role of each oxygen group in the 2eORR process. The results revealed that the -C--O group was the most active component followed by the -COOH group, while the -C--O group with zigzag and armchair configurations had no apparent influence on the 2eORR performance. This work provides new insights into the nature of active sites on the oxygen-doped carbon catalysts for 2eORR.
JOURNAL OF ENVIRONMENTAL CHEMICAL ENGINEERING
(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.