PROCEEDINGS OF THE COMBUSTION INSTITUTE
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2024
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IF 5.3
Qilong Fang,Jun Fang,Yi Zhang,Jianguo Zhang,Tianyou Lian,Wei Li,Yuyang Li
Oxymethylene ethers (OMEs) have received great attention due to their carbon-neutral nature and advantageous properties as alternative transportation fuels or fuel additives. Previous studies focused on the combustion of linear OMEs with the chemical formula of CH 3 O(CH 2 O) m CH 3 ( m ≥ 0), while a deep understanding of the combustion of branched OMEs with the chemical formula of CH 3 OCH 3- n (OCH 3 ) n (0 ≤ n ≤ 3) is still absent. In this work, the flow reactor pyrolysis of dimethoxymethane (DMM, n = 1), trimethoxymethane (TMM, n = 2), and tetramethoxymethane (TeMM, n = 3) is investigated using gas chromatography, with special attention given to the multi-sidechain effects on the pyrolysis chemistry. A pyrolysis model of branched OMEs is developed and validated against the new pyrolysis data. Modeling analysis is performed to provide insights into the pyrolysis chemistry of the three branched OMEs and the multi-sidechain effects. Unimolecular decomposition and H-abstraction reactions are found to be two major types of fuel decomposition pathways, with the former dominating TMM decomposition, the latter dominating DMM decomposition, and both contributing almost equally to TeMM decomposition. Sensitivity analysis shows that C O bond dissociation is the most sensitive reaction to fuel decomposition in DMM pyrolysis, while methanol elimination is the most sensitive reaction in TMM and TeMM pyrolysis. Among the three fuels, DMM has the lowest pyrolysis reactivity and produces the least abundant methanol. In contrast, TMM is observed with the highest pyrolysis reactivity and produces the most abundant methanol. Theoretical calculations reveal that TMM and DMM have the lowest and highest energy barriers of methanol elimination reactions, which determines the order of their pyrolysis reactivities and methanol formation trends. As a result, DMM pyrolysis occurs at higher temperature regions where the C O bond dissociation and H-abstraction reactions are preferred, while TMM pyrolysis occurs at lower temperature region where methanol elimination dominates.
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JOURNAL OF POWER SOURCES
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2018
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IF 6.945
Bo Tong,Jiawei Wang,Zhenjie Liu,Lipo Ma,Peng Wang,Wenfang Feng,Zhangquan Peng,Zhibin Zhou
Formation of dendrite on lithium metal anode (LMA) poses a threat to commercial prospects of rechargeable lithium metal batteries (LMBs). Electrolyte engineering, including but not limited to using new solvents, salts and additives, is an effective remedy to surmounting this vexing problem. In this work, a novel additive, trimethylsilyl(fluorosulfonyl)( n -nonafluorobutanesulfonyl)imide {(CH 3 ) 3 Si-N[(FSO 2 )( n -C 4 F 9 SO 2 )], TMS-FNFSI}, is introduced to the ether-based electrolyte of LiN[(CF 3 SO 2 ) 2 ]-1,3-dioxolane/dimethoxyethane (LiTFSI-DOL/DME) for LMBs. It preferentially reduces on LMA prior to the main electrolyte components (ethers and LiTFSI), resulting in a LiF-rich, organic F- and Si-containing solid electrolyte interphase (SEI) film, being validated by X-ray photoelectron spectroscopy (XPS). Thus, dendrite growth is effectively suppressed. Li|Cu cells, with 1.0 M LiTFSI-DOL/DME (1:1, v/v) containing 5 wt% TMS-FNFSI, exhibit an average coulombic efficiency up to 96.5% for ca. 100 cycles at the current density and areal capacity of 1 mA cm −2 and 2 mAh cm −2 , respectively. The Li|Li symmetric cells with TMS-FNFSI can run for more than 1200 h with a stable polarization voltage (ca. 25 mV) at 0.5 mA cm −2 . The Li|LiFePO 4 cells with TMS-FNFSI can operate steadily for 100 cycles with capacity retention of 92% at 0.2 C. The reduction decomposition mechanism of TMS-FNFSI is tentatively proposed.
研究领域:
电化学
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能源材料
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电池技术
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JOURNAL OF PHYSICAL CHEMISTRY A
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2017
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IF 2.847
Anne Rodriguez,Olivier Herbinet,Xiangzan Meng,Christa Fittschen,Zhandong Wang,Lili Xing,Lidong Zhang,Frédérique Battin-Leclerc
A wide range of hydroperoxides (C1–C3 alkyl hydroperoxides, C3–C7 alkenyl hydroperoxides, C7 ketohydroperoxides, and hydrogen peroxide (H2O2)), as well as ketene and diones, have been quantified during the gas-phase oxidation of n-heptane. Some of these species, as well as C10 alkenyl hydroperoxides and ketohydroperoxides, were also measured during the oxidation of n-decane. These experiments were performed using an atmospheric-pressure jet-stirred reactor at temperatures from 500 to 1100 K and one of three analytical methods, time-of-flight mass spectrometry combined with tunable synchrotron photoionization with a molecular beam sampling: time-of-flight mass spectrometry combined with laser photoionization with a capillary tube sampling, continuous wave cavity ring-down spectroscopy with sonic probe sampling. The experimental temperature at which the maximum mole fraction is observed increases significantly for alkyl hydroperoxides, alkenyl hydroperoxides, and then more so again for hydrogen peroxide, compared to ketohydroperoxides. The influence of the equivalence ratio from 0.25 to 4 on the formation of these peroxides has been studied during n-heptane oxidation. The up-to-date detailed kinetic oxidation models for n-heptane and for n-decane found in the literature have been used to discuss the possible pathways by which these peroxides, ketene, and diones are formed. In general, the model predicts well the reactivity of the two fuels, as well as the formation of major intermediates.
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Sensors and Actuators Reports
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2023
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IF 5.9
Keren Shi,Xiangming Liang,Mingming Li,Zhenhua Zhai,Ying Liu,Xiaoyan Shan,Yang Ma,Qianqian Gan,Huiqin Yao
In this work, poly( N,N -diethylacrylamide) (PDEA) hydrogel films were polymerized on glassy carbon (GC) electrode surface, and isoniazid (INH) was chosen as an electroactive pharmaceutical molecule probe, aiming to investigate the switchable electrochemical behaviors of INH. Determining the contents of INH tablets under different external stimuli conditions and constructing its logic gate computing systems. The triple-sensitive electrochemical CV behaviors of INH on this film system toward pH, temperature and salt concentration were observed and explored. Thus, a 3-input/8-output combinational pharmaceutical logic gate network and a 3-to-8 decoder were designed and constructed based on the stimulus-responsive characteristics of the electrochemical response of INH on PDEA hydrogel-modified electrodes. Besides, the relationship between the oxidation peak current ( I pa ) and concentration of INH ( C INH ) was studied by the differential pulse voltammetry (DPV) method. Apply this film system, and the INH tablets could be switchable detected. The construction of the logic-gate computing system based on isoniazid drug molecule may provide a novel approach and model to design new style drug sensors, which might be applied to intelligent medical diagnostics and drug release.
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JOURNAL OF CHROMATOGRAPHY B-ANALYTICAL TECHNOLOGIES IN THE BIOMEDICAL AND LIFE SCIENCES
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2023
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IF 3
Yike Wu,Mingyu Hao,Weifeng Li,Yun Xu,Dewen Yan,Yong Xu,Wenlan Liu
Given the increasing morbidity of diabetes mellitus type 2 (T2DM) with peripheral neuropathy (PN), efficient screening for T2DM-PN is of great significance. Altered N-glycosylation is closely associated with T2DM progression, whereas its association with T2DM-PN remains uncharacterized. In this study, N-glycomic profiling was performed to identify the N-glycan features between T2DM patients with (n = 39, T2DM-PN) and without PN (n = 36, T2DM-C). Another independent set of T2DM patients (n = 29 for both T2DM-C and T2DM-PN) were utilized to validate these N-glycomic features. There were 10 N-glycans varied significantly between T2DM-C and T2DM-PN ( p < 0.05 and 0.7 < AUC < 0.9), of which T2DM-PN was associated with increased oligomannose and core-fucosylation of sialylated glycans, and decreased bisected mono-sialylated glycan. Notably, these results were validated by an independent set of T2DM-C and T2DM-PN. This is the first profiling for N-glycan features in T2DM-PN patients, which reliably differentiates them from T2DM controls, thus providing a prospective profile of glyco-biomarkers for the screening and diagnosis of T2DM-PN.
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PubMed
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NEW JOURNAL OF CHEMISTRY
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2022
·Vol. 46
·期 19
·9372-9382
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IF 3.925
Jianqing Bian,Mengmeng Zheng,Qibin Chen,Honglai Liu
Porous carbons with the large specific surface area, high electrical conductivity as well as abundant heteroatom doping are regarded as a promising candidate for supercapacitor applications. In this report, a facile potassium ferrate (K2FeO4) activation strategy is adopted to transform the N-rich Schiff-based polymer into N-doped graphitized porous carbons (NGPCs) by the synchronous activation and graphitization. The optimized NGPC-700-1 sample delivers a delightful capacitance of 322.7 F g−1 at 0.5 A g−1 and an excellent rate capability (79.1% capacitance retained at 50 A g−1) in 6 M KOH due to the unique laminated and porous structure with the large surface area (2123.7 m2 g−1), high porous volume (1.30 cm3 g−1) and abundant N/O dopant (6.20/8.20 at%). Moreover, the assembled symmetric supercapacitor achieves a high energy density of 21.5 W h kg−1 at the power supply of 445.5 W kg−1 in 1 M Na2SO4 electrolyte. Therefore, NGPCs derived from one-step activation/graphitization of N-rich polymer represent a promising route for preparing porous carbon materials with the high charge storage capacity and rate capability in the energy storage.
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ACS Catalysis
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2023
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IF 12.9
Mengyang Xia,Ben Chong,Xiangjiao Gong,Hang Xiao,He Li,Honghui Ou,Bin Zhang,Guidong Yang
Using solar energy to fix N2 and produce NH3 is a promising route. For nitrogen photofixation, the transition-metal active site in the low oxidation state is conducive to the adsorption of N2, but it is often difficult to further dissociate N2, restricting the reaction. Therefore, it is necessary to precisely modulate the electron energy level of the active site to couple with the molecular orbitals of N2, thus reducing the energy barrier of N2 dissociation. Here, the perovskite-type LaTiO3–x with an ultralow oxidation state Ti2+ site is achieved via in situ modulation of phase transition and defect engineering. The obtained Ti2+ sites could inject more d-orbital electrons into the N2 π* antibonding orbitals to achieve N2 activation and dissociation. Therefore, compared with pristine La2Ti2O7 and La2Ti2O7–x samples without ammonia production activity, LaTiO3–x samples showed a remarkable performance for photocatalytic N2 fixation. The NH3 generation rate reached up to 107 μmol gcat–1 h–1 after the 1st hour, and the average NH3 generation rate after 4 h was approximately 51.5 μmol gcat–1 h–1. Furthermore, in situ characterization and density functional theory (DFT) calculations revealed the role of Ti sites with different oxidation states (Ti4+, Ti3+, Ti2+) in N2 activation, which would provide a unique perspective for designing efficient N2 fixation catalysts.
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FLUID PHASE EQUILIBRIA
·
2023
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IF 2.6
Shuo Yuan,Yi Liu,Jingwei Cui,Xiong Zheng
Hydrocarbons have wide applications in various industrial processes, and the knowledge of thermophysical properties is the foundation for their utilization. As an important thermophysical property, the thermal conductivity of fluids is vital in the evaluation of energy conversion quality, like heat transfer enhancement , thermodynamic cycle efficiency evaluation, etc. Therefore, obtaining accurate experimental data is of great importance for the utilization of hydrocarbons. Here, the thermal conductivities of liquid n-nonane and n-undecane were investigated using the transient hot-wire method (combined expanded uncertainty is 2.0 %) with a wide temperature and pressure range from 293.15 to 523.15 K and 0.1 to 15.0 MPa. For the convenience of engineering applications, a polynomial as a function of temperature and pressure was proposed to correlate the experimental data, the average absolute deviations between experimental data and fitted data are 0.29 % for n-nonane and 0.35 % for n-undecane, which indicates that the polynomial describes the experimental data well in the measured region. Meanwhile, the available literary data were collected and compared with our results, and good agreement was found between literary data and our results. This work is not only helpful for the industrial applications of hydrocarbons but also helps to understand the internal mechanism of the thermal conductivity of hydrocarbons.
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JOURNAL OF COLLOID AND INTERFACE SCIENCE
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2021
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IF 8.128
Jingjing Liu,Bicheng Zhu,Liuyang Zhang,Jiajie Fan,Jiaguo Yu
It is imperative to seek for novel materials with pronounced gas sensing performance towards triethylamine for the sake of human health. Herein, we successfully fabricate an outstanding triethylamine sensor based on CdS/ZnO composite with 0D/2D structure, which are prepared by in-situ growth of CdS quantum dots on ultra-thin ZnO nanosheets . The ratios between the two ingredients are adjusted and their effect is evaluated. The optimal sample exhibits the lowest operating temperature of 200 °C, the highest response value of ~20 and the fastest response time of 2 s. Besides, it also has the virtues of durable stability, excellent selectivity and superior anti-interference ability. The mechanism behind the aforementioned intriguing performance is investigated by X-ray photoelectron spectroscopy, Kelvin probe and density function theory (DFT) simulation. All the results verify that the enhanced gas sensing properties are derived from splendid 0D/2D structure, n - n heterojunction and large specific surface area. Additionally, this study opens an avenue for designing sensors with 0D/2D structure.
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JOURNAL OF MATERIALS ENGINEERING AND PERFORMANCE
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2021
·Vol. 30
·期 2
·1567-1576
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IF 1.819
Ma Jingling,Jia Xingliang,Ma Mingsheng,Zhang Chenfei,Ren Fengzhang,Wang Guangxin
To limit corrosion and retain activity of magnesium anode, magnesium–air batteries with double solutions: 0.5 M Mg(ClO 4 ) 2 - N , N -dimethylformamide (DMF)/0.6 M NaCl-H 2 O, 0.5 M Mg(ClO 4 ) 2 –acetonitrile (AN)/0.6 M NaCl-H 2 O are prepared. Cathodic and anodic reactions proceed in inorganic and organic solutions separately. Discharge performance, discharge morphology, and corrosion behavior of magnesium anode are researched. Results obtained show that organic electrolytes separate anode from the aqueous electrolyte, thus improving anode utilization rate. Due to 0.6 M NaCl solution used in air cathode side, the batteries show higher discharge voltages. A better discharge performance has been observed in double electrolytes at 1 mA·cm −2 discharge. Results of discharge morphology and electrochemical impedance spectroscopy agree well with discharge performance. The discharge mechanism of magnesium anode in different solutions is also discussed.
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NEW JOURNAL OF CHEMISTRY
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2020
·Vol. 44
·期 11
·4311-4318
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IF 3.288
Weitao Xu,Xinyu Deng,Xin Xiao,Bing Bian,Qing Chen,Scott J. Dalgarno,Zhu Tao,Carl Redshaw
A benzyl substituted 4-pyrrolidinopyridinium salt (G) with multiple active sites including benzyl, pyridinium and pyrrole groups has been synthesized. The interaction between G and a series of cucurbit[n]urils (TMeQ[6], Q[7], Q[8], Q[10]), has been studied both in aqueous solution and in the solid state. The binding interaction site between G and the Q[n] can be controlled by the size of the cavity of the Q[n]s. In the case of TMeQ[6], the benzyl is accommodated within the cavity, whilst for Q[7] and Q[8], the pyrrole ring and the benzyl are accommodated within the cavity of the Q[7/8], and the latter can shuttle on the guest G in a state of dynamic equilibrium. For the larger cavity of Q[10], the entire G molecule is located within the cavity of the Q[10].
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JOURNAL OF CHEMICAL THERMODYNAMICS
·
2019
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IF 2.29
Jian Wang,Yongqin Du,Cunbin Du,Anli Xu,Ganbing Yao,Hongkun Zhao,Xuedong Zhu,Xuhong Guo
For switchable hydrophilicity solvent (SHS) systems ( N,N -Dimethylcyclohexylamine (DMCA), water, and carbon dioxide): the density, viscosity, refractive index and conductivity at (283.15–308.15) K and 0.1 Mpa, were measured. The apparent molar volumes were determined as a function of composition at each temperature from experimental data. Based on Masson’s equation limiting apparent molar volumes and Masson’s coefficient S V describing the character of interactions were calculated. The relative viscosity values were adjusted to obtain the viscosity B coefficients and dB/dT values. It has been observed that there exist strong solute-solvent and solute-solute interactions in these systems, and DMCAH-bicarbonate salt acts as structure-maker in aqueous solvent.
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