Article
Engineering, Environmental
Chan Zou, Huimin Liu, Hongyun Hu, Yongda Huang, Chunbo Wang, Hong Yao
Summary: This study systematically investigated the adsorption characteristics of As2O3 over a carbonaceous surface in the presence of CO2 through experimentation and theoretical analysis. The experimental results showed that CO2 negatively affected the adsorption of arsenic by activated carbon. Theoretical calculations revealed that the carbonaceous surface tended to react with CO2 instead of As2O3 in flue gas, leading to a decrease in adsorption energy for arsenic. Additionally, CO2 adsorption weakened the activity of adsorption sites on the carbonaceous surface and inhibited As2O3 adsorption.
CHEMICAL ENGINEERING JOURNAL
(2022)
Article
Engineering, Environmental
Ning Xie, Haiming Wang, Changfu You
Summary: In this study, the adsorption mechanism of Pb2+ on carbonaceous surfaces modified with oxygen functional groups was investigated using density functional theory. It was found that the introduction of oxygen functional groups significantly enhanced the adsorption of Pb2+ on the armchair surface, changing the adsorption mechanism from physisorption to chemisorption.
JOURNAL OF HAZARDOUS MATERIALS
(2021)
Article
Engineering, Environmental
Qixin Zhou, Jinsong Zhou, Lingtao Zhou, Chenghang Zheng, Zhuang Liu, Yang Lu, Bohao Li
Summary: DFT-D2 theoretical calculations were used to investigate the adsorption behaviors and mechanisms of elemental mercury (Hg-0) on the low-Miller index mackinawite surface (FeS(001)-S surface) with the involvement of carbon or sulfur. The results showed that carbon atom can act as a linker between the substrate and the Hg atom, while sulfur-doped surface led to the formation of a chemical bond between the Hg atom and the surface. The adsorption process followed Langmuir-Hinshelwood Mechanism.
CHEMICAL ENGINEERING JOURNAL
(2022)
Article
Environmental Sciences
Chan Zou, Shuai Li, Xuanzhou Huan, Hongyun Hu, Lu Dong, Haojie Zhang, Qiqi Dai, Hong Yao
Summary: The addition of phosphorous was found to effectively promote the activation and modification of carbonaceous sorbents, enhancing their capacity for arsenic fixation. Experimental and density functional theory methods were used to investigate the adsorption characteristics of arsenic over different carbon-based sorbents. The results showed that phosphoric acid modification generated functional groups on the surface of activated carbon, significantly improving its adsorption ability for gaseous arsenic.
SCIENCE OF THE TOTAL ENVIRONMENT
(2023)
Article
Energy & Fuels
Wenqi Qu, Hongxiao Zu, Jianping Yang, Zequn Yang, Hong Xu, Hailong Li
Summary: This study calculated the co-adsorption of Hg0 and selenium species on pyrite surface using DFT, and found that selenium species play an important role in Hg0 adsorption. The effect of SeO2 on Hg0 adsorption depends on its concentration, with low concentrations producing coordination-absent active sites beneficial for mercury elimination.
Article
Engineering, Environmental
Xuekun Dai, Xishan Zhou, Hanzi Liu, Tao Wang, Yongsheng Zhang, Huicong Zhang, Baomin Sun
Summary: A novel and efficient adsorbent TM-MoSe2 (TM = Fe, Co, Ni) was developed for mercury removal. The doping of Fe/Co/Ni was found to enhance the Hg-0 adsorption capacity of MoSe2, leading to initial Hg-0 removal efficiency of 96.4-100.0%. The adsorption mechanism of HgCl and HgCl2 varied on the TM-MoSe2 (001) surface, with HgCl2 being fixed well through molecular or dissociative adsorption.
JOURNAL OF HAZARDOUS MATERIALS
(2021)
Article
Multidisciplinary Sciences
Zhicheng Wu, Sifan Xu, Yong Zhou, Qilin Guo, Yuriy Dedkov, Elena Voloshina
Summary: This study presents a theoretical description of water molecule adsorption on NiPX3 surfaces, finding that physisorption occurs in all cases, while water dissociative adsorption is unfavorable. This work provides a foundation for further research on water/MPX3 reactions.
ADVANCED THEORY AND SIMULATIONS
(2021)
Article
Engineering, Environmental
Ping He, Yi Zhang, Xinyi Zhao, Jie Wei, Tianhong Xu, Jiang Wu, Naichao Chen
Summary: This study investigates the atomic interaction between elemental mercury and defective carbonaceous surfaces using first-principles calculations. Vacancies were found to increase the activity of neighboring carbon atoms but decrease the mercury removal capacity. Various flue gas molecules were examined, showing different adsorption behaviors for mercury on the defective carbonaceous surface. Among these molecules, CO was found to enhance mercury removal efficiency, while CO2, NO, NO2, and H2O led to an increase in adsorption energies.
JOURNAL OF HAZARDOUS MATERIALS
(2021)
Article
Chemistry, Physical
Aysenur Gencer, Sezgin Aydin, Ozge Surucu, Xiaotian Wang, Engin Deligoz, Gokhan Surucu
Summary: In this study, the hydrogen storage properties of Li-decorated Hf2CF2 MXene layer were investigated using first-principles calculations. The results show that the Li-decorated layer exhibits stable and convenient adsorption characteristics, making it a promising candidate for hydrogen storage applications.
APPLIED SURFACE SCIENCE
(2021)
Article
Energy & Fuels
Huang Qin, Hai Zhang, Ping He, Xiaolin Wang, Jiang Wu, Xiumin Jiang
Summary: The study utilized density functional theory to investigate the effect of multiple-membered carbocycles on the adsorption of elemental mercury on carbon surfaces. Results showed that the distribution of C-C bond lengths and adsorption energy were influenced by the presence of MMC, leading to different trends in adsorption categories.
Article
Engineering, Environmental
Yuxing Fan, Liangliang Huang, Ligui Wu, Chuanting Zhang, Shuhui Zhu, Xiaoyu Xiao, Mi Li, Xiaoming Zou
Summary: The study found that biochar derived from waste residues showed different adsorption performances under different conditions, with RB being the preferred biochar due to its higher concentration of oxygen functional groups. The mechanisms of sulfonamides adsorption onto biochars mainly involved pi-pi electron donor acceptor interactions and hydrogen bonds.
JOURNAL OF HAZARDOUS MATERIALS
(2021)
Article
Chemistry, Physical
Yan Cao, M. A. El-Shorbagy, Pradeep Kumar Singh, Ayman A. Aly, Bassem F. Felemban, A. Sarkar
Summary: In this study, density functional theory calculations were used to investigate the adsorption of Hg-0 on silicon carbide monolayers. It was found that Hg-0 atoms chemically adsorb onto pure SiC monolayers, indicating the potential of developing novel adsorbents for Hg-0 removal.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Chemistry, Physical
Jing Yang, Tao Wang, Bangbo Yan, Yongsheng Zhang, Junkai Wang, Wei-Ping Pan
Summary: Due to its low cost, rich resource reserve, and high affinity for gas-phase mercury, zinc selenide has been investigated as a promising sorbent to control mercury emission. Theoretical study suggested that ZnSe sorbent has an excellent potential for the efficient removal of gas-phase mercury. Chemical adsorption played a crucial role in the process of mercury adsorption on the ZnSe (110) surface.
APPLIED SURFACE SCIENCE
(2021)
Article
Multidisciplinary Sciences
Ping Yan, Song Shu, Longhua Zou, Yongjun Liu, Jianjun Li, Fusheng Wei
Summary: The oxygen reduction reaction (ORR) remains challenging due to its complexity and slow kinetics. Nitrogen-doped graphene has been studied as a potential ORR catalyst, but the lack of understanding of the reaction mechanism and active sites limits its potential ORR activity. Research shows that graphitic N doping improves the ORR performance of graphene, and dual-graphitic N-doped graphene demonstrates the highest catalytic properties.
ROYAL SOCIETY OPEN SCIENCE
(2021)
Article
Chemistry, Multidisciplinary
Guanglei Chen, Yangyang Xie, Yi Tang, Tianshuai Wang, Zhenyu Wang, Chenhui Yang
Summary: This study investigates the enhanced volumetric capacitance of nitrogen-doped titanium carbide (MXene) films in high-concentration sulfuric acid electrolyte. Through density functional theory calculations, it is revealed that the introduction of metal vacancy sites can increase the electronic capacity and explain the high performance of nitrogen-doped MXene materials.
Article
Engineering, Environmental
Bo Yuan, Zhen Qian, Xiaojie Yang, Mengchao Luo, Xiaohe Feng, Le Fu, Weijie Yang, Lijuan Yang, Jinghong Zhang, Yi Zhao, Runlong Hao
Summary: A novel microwave catalytic oxidation method for denitrification was developed, which can effectively convert NO to nitrate/nitrite with minimal NO2 yield. The use of a molecular sieve-supported oxygen-vacancy-enriched catalyst and microwave irradiation results in excellent catalytic activity and resistance.
ENVIRONMENTAL SCIENCE & TECHNOLOGY
(2022)
Article
Chemistry, Physical
Zhengyang Gao, Yang Bai, Min Wang, Guangyang Mao, Xiaoshuo Liu, Peng Gao, Weijie Yang, Xunlei Ding, Jianxi Yao
Summary: This study constructed a cluster model database for organic-inorganic hybrid perovskites and proposed an effective model for predicting the band gap of bulk materials. Several new perovskite materials with suitable band gaps were discovered using this model.
JOURNAL OF PHYSICAL CHEMISTRY C
(2022)
Article
Engineering, Environmental
Shihai Cao, Hao Liu, Zhenhe Jia, Meng Guo, Wentong Gao, Zhaohan Ding, Weijie Yang, Liang Chen, Wenjing Wang
Summary: Amine-functionalized carbon nitride prepared by carboxylation and acylation reactions shows enhanced CO2 photoreduction efficiency due to increased CO2 adsorption capacity and reduced charge transfer resistance.
CHEMICAL ENGINEERING JOURNAL
(2023)
Article
Chemistry, Multidisciplinary
Chang Liu, Zixun Yu, Fangxin She, Jiaxiang Chen, Fangzhou Liu, Jiangtao Qu, Julie M. Cairney, Chongchong Wu, Kailong Liu, Weijie Yang, Huiling Zheng, Yuan Chen, Hao Li, Li Wei
Summary: By constructing heterogeneous molecular catalysts using cobalt porphyrins and carbon nanotubes, the catalytic properties and activity were successfully modulated, resulting in sustainable production of hydrogen peroxide with high selectivity and activity.
ENERGY & ENVIRONMENTAL SCIENCE
(2023)
Article
Chemistry, Physical
Zhijian Liu, Jihao Wei, Guikai Zhang, Dewang Zhang, Jing Zhang, Weijie Yang, Chongchong Wu, Ian D. Gates
Summary: For human safety, efficient removal of formaldehyde in indoor environments is crucial. A metal-organic framework-based single-atom iron catalyst (Fe-SA) is proposed as a potential catalyst for formaldehyde oxidation. Through density functional theory (DFT) calculation, the adsorption characteristic and reaction path of Fe-SA with different coordination environments were explored. Fe-SA with 5-nitrogen coordination (Fe-SA-N-5-C) was selected and tested, showing a formaldehyde removal efficiency of 85.8% at 25 degrees C and 75% relative humidity, surpassing current data. Moisture was found to enhance catalytic oxidation of formaldehyde, indicating the practical applicability and stability of Fe-SA-N-5-C.
JOURNAL OF MATERIALS CHEMISTRY A
(2023)
Article
Chemistry, Physical
Wei Lv, Jingwen Meng, Xudong Li, Chao Xu, Weijie Yang, Songzhao Duan, Yiming Li, Xing Ju, Runsong Yuan, Yonglan Tian, Miaomiao Wang, Xuefeng Lyu, Peiyuan Pan, Xiaolei Ma, Yu Cong, Ying Wu
Summary: This study explores the use of an environmentally-friendly and inexpensive birnessite as a potential cathode material for aqueous Znion batteries. A potassium-birnessite cathode is prepared using a convenient one-pot hydrothermal synthesis method, and a desolvation strategy with a low concentration of N-methyl-2-pyrrolidone (NMP) additive is proposed to enhance Zn(2+) energy storage efficiency. The N-6 sample shows improved kinetics and pseudocapacitance characteristics, with coulombic efficiency of approximately 99.9%, specific energy of 425.66 Wh kg(-1), and long cyclic stability of 95.96% after 2000 charge-discharge cycles.
ENERGY STORAGE MATERIALS
(2023)
Article
Chemistry, Multidisciplinary
Weijie Yang, Zhenhe Jia, Binghui Zhou, Li Wei, Zhengyang Gao, Hao Li
Summary: By analyzing various DACs structures, the authors find that the surface states of DACs generally differ from a pristine surface at electrocatalytic operating conditions. Therefore, it is important to consider the surface state of a DAC before analyzing its catalytic activity.
COMMUNICATIONS CHEMISTRY
(2023)
Article
Chemistry, Multidisciplinary
Lulu Wen, Kang Sun, Xiaoshuo Liu, Weijie Yang, Luyan Li, Hai-Long Jiang
Summary: In this study, PdCu nanoparticles were encapsulated into a sulfonate functionalized metal-organic framework, UiO-66-SO3H, and their microenvironment was further modified by coating a hydrophobic polydimethylsiloxane (PDMS) layer. The resulting PdCu@UiO-S@PDMS catalyst exhibited high activity towards electrochemical nitrogen reduction reaction (NRR), surpassing other counterparts. Experimental and theoretical results revealed that the protonated and hydrophobic microenvironment provided protons for NRR and suppressed the competitive hydrogen evolution reaction, while the electron-rich PdCu sites favored the formation of the N2H* intermediate and reduced the energy barrier of NRR, contributing to its excellent performance.
ADVANCED MATERIALS
(2023)
Article
Chemistry, Physical
Jingxue Wang, Kang Sun, Denan Wang, Xinwei Niu, Zhongyuan Lin, Siyuan Wang, Weijie Yang, Jier Huang, Hai-Long Jiang
Summary: The coordination environment around single Co sites in a UiO-type metal-organic framework is modulated to synthesize UiO-Co-N-x (x = 2, 3, and 4) catalysts for photocatalytic CO2 reduction. It is found that the photocatalytic performance is strongly influenced by the coordinated N atom number, with UiO-Co-N-3 exhibiting the highest activity. Photo-/electrochemical results confirm the fastest charge transfer kinetics between the photosensitizer and UiO-Co-N-3. Theoretical calculations and in situ diffuse reflectance infrared Fourier transform spectra reveal that UiO-Co-N-3 has the lowest energy barriers for the rate-determining step and desorption energy of CO* among all UiO-Co-N-x samples.
Article
Energy & Fuels
Weijie Yang, Binghui Zhou, Liugang Chen, Ruiyang Shi, Hao Li, Xiaoshuo Liu, Zhengyang Gao
Summary: In this study, the catalytic activity of single-atom cobalt catalysts for the oxidation of NO and Hg0 was improved by doping different p-block elements to regulate the coordination environment. The adsorption energy of O2 and O was calculated to analyze the catalytic activity performance, and four potentially high-activity catalysts were identified. Microkinetic modeling was used to calculate the turnover frequency (TOF) of these catalysts, and the results showed that adjusting the coordination environment of the active metal center significantly improved the catalytic activity of single-atom catalysts in the oxidation of NO and Hg0.
Article
Chemistry, Physical
Weijie Yang, Liugang Chen, Binghui Zhou, Zhenhe Jia, Xiaoshuo Liu, Yanfeng Liu, Hao Li, Zhengyang Gao
Summary: In this study, the combination of single-atom catalysts and H2O2 as an oxidant is proposed for the catalytic oxidation of nitrogen oxide (NO). The reaction pathways for NO oxidation using H2O2 were determined through theoretical calculations and modeling, with *OOH identified as the most favorable pathway with the highest reaction rate and *HNO3 as the main oxidation product. Compared to conventional oxidants and catalysts, using H2O2 on Fe-N-4-C catalyst lowers the reaction energy barriers and enables the deep oxidation of NO. This research provides valuable insights for the development of materials for NO removal.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Chemistry, Physical
Weijie Yang, Zhenhe Jia, Binghui Zhou, Liugang Chen, Xunlei Ding, Long Jiao, Huiling Zheng, Zhengyang Gao, Qiang Wang, Hao Li
Summary: Surface states of typical homonuclear and heteronuclear DACs were probed, and spin-polarized density functional theory calculations were conducted to explore the CO2RR reaction mechanisms. The study reveals the difficulty in C-C coupling on DACs and provides insights into enhancing the selectivity and activity of the CO2RR.
Article
Chemistry, Multidisciplinary
Weijie Yang, Zhenhe Jia, Liugang Chen, Binghui Zhou, Di Zhang, Yulan Han, Zhengyang Gao, Hao Li
Summary: The electrocatalytic bridge-site poisoning of dual-atom catalysts (DACs) has recently gained attention. Surface Pourbaix analysis revealed that the electrochemistry-induced surface coverages of DACs changed significantly with the intermetal distance. The intermetal distance was found to have a pronounced effect on the electrochemical potential window and the type of pre-covered adsorbate, providing a means to tune the electrocatalytic function of DACs.
CHEMICAL COMMUNICATIONS
(2023)
Article
Energy & Fuels
Wenfeng Fu, Kanghai Yu, Hao Song, Kai Zhang, Weijie Yang
Summary: A new descriptor was proposed in this study to accelerate the evaluation of different amine pairings and successfully establish a relationship between hydrogen bond strength and reaction energy barrier, providing theoretical guidance for the design of mixed amines.
Article
Chemistry, Physical
Weijie Yang, Liugang Chen, Zhenhe Jia, Binghui Zhou, Yanfeng Liu, Chongchong Wu, Zhengyang Gao
Summary: This study investigated the reaction pathways of NO oxidation with OH radicals over eight types of single-atom catalysts (SACs) through spin-polarized density functional theory calculations. Fe-N4-C was found to have the highest reaction rate among the SACs studied, indicating its potential for efficient catalytic oxidation of NO at room temperature. The catalytic activity of NO oxidation using OH radicals was found to be higher than that using O2 for the SACs system, as demonstrated by the catalytic reactions plotted on the unified volcano map.
JOURNAL OF MATERIALS CHEMISTRY A
(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.