CHEMICAL ENGINEERING JOURNAL
·
2021
·
IF 13.273
Yanan Yu,Yao Shen,Xiaowei Zhou,Fan Liu,Shihan Zhang,Shijian Lu,Jiexu Ye,Sujing Li,Jianmeng Chen,Wei Li
Biphasic solvent has been widely studied for CO 2 capture due to its excellent energy-saving potentiality. However, its complex composition makes the prediction of main performances, like phase separation behavior or absorption rate, become obscure and difficult. This work investigated the relationship between the physical properties of tertiary amines and proton transfer process, phase separation behavior and absorption rate of biphasic solvents via quantum calculation and experimental results. The high electronegativity of tertiary amine N atom makes the biphasic solvent exhibit the fast phase separation rate and absorption rate, and maximum phase separation rate can reach 0.056 min −1 . Furthermore, the increase of N atom polarity can delay the appearance of phase separation peak and stabilize the absorption rate during the counter-current absorption process. We believe that the relationship revealed by this work can deepen the understanding for screening and practical applying of biphasic solvents.
研究领域:
化学工程
·
环境科学
✓ 已验证
产品关联
DOI
高影响因子
WATER ENVIRONMENT RESEARCH
·
2023
·Vol. 95
·期 12
·e10948
·
IF 3.1
Md. Nahid Pervez,Mst. Monira Rahman Mishu,Naim Pervez Tanvir,Md Eman Talukder,Yingjie Cai,Felix Y. Telegin,Yaping Zhao,Vincenzo Naddeo
A notable level of apprehension exists over the adverse impacts of dye pollution on aquatic ecosystems and human well-being. The primary objective of this research is to assess the effectiveness of Fenton catalytic reactions in degrading 14 different commercial azo dyes (both single and double) present in aqueous solutions. The investigation focused on the function of dye structures, using a combination of experimental data and examination of theoretical factors. Dye degradation process was carried out at pH 3, and the concentrations of Fe 2+ (10 −4 mol/L), H 2 O 2 (2 × 10 −3 mol/L), and dye (0.05 g/L). The findings revealed that dyes with a larger molecular weight were more effective at degrading (D%), with the overall degradation efficiency varying from 0% to 94%. Functional groups played an important role in degradation efficiency; for example, dyes with higher aromatic rings led to less D%, while a higher number of sulfonic, methyl, and nitro groups was responsible for better D%. Notably, the presence of OH groups in the backbone of dyes (AB 24, ABE 113, and MB 9) formed the Fe complex during the catalytic process, and the D% was minimal. On the other hand, theoretical quantum calculations such as the greater the JCLogP, highest occupied molecular orbital, and Dipole moment value, the higher the degradation efficiency. And dyes with low lowest unoccupied molecular orbital tended to have a better degradation efficiency. To some extent, UV–Vis spectral analysis was investigated to determine the degradation pathway, and the pseudo-second-order kinetic model fitted better in the degradation process. The overall experimental and theoretical findings suggested that dye degradation efficiency by the Fenton process is structure-dependent. Practitioner Points Insights into the role of azo dye structures-properties on degradation efficiency. Higher molecular weight and sulfonic groups containing dyes showed better degradation efficiency. Hydroxyl groups play the formation of the Fe complex during the degradation process. Higher values of HOMO and lower values of LUMO enhanced degradation efficiency. The pseudo-second-order (PSO) kinetic model obeyed the Fenton process.
研究领域:
环境科学
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化学工程
·
理论化学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
APPLIED ENERGY
·
2019
·
IF 8.426
Yao Shen,Han Chen,Junliang Wang,Shihan Zhang,Chenkai Jiang,Jiexu Ye,Lidong Wang,Jianmeng Chen
The CO 2 capture capabilities of amine-based biphasic solvents have been extensively investigated. However, the mechanism of CO 2 absorption into the biphasic solvents has not been adequately examined, even if it is very important for the solvent screening, composition optimization, efficiency improvement and heat duty reduction. In this work, a two-stage interaction mechanism is proposed through CO 2 absorption performance , 13 C nuclear magnetic resonance analysis, and quantum calculation. The experimental results and quantum calculation revealed that the shift of the absorption mechanism depended on the active amine group in the biphasic solvents. In the first stage, for a high concentration of the active amine group, a proton was transferred from zwitterion to tertiary amines with the primary amines as intermediates. The CO 2 absorption rate was controlled by reaction kinetics, which resulted in a high absorption rate and inconspicuous phase change. In the second stage, for a low concentration of the active amine group, the thermodynamics-controlled absorption rate decreased sharply (by 65.2% for 1,4-butanediamine/N,N-dimethylcyclohexylamine) because the proton transferred from zwitterion to tertiary amines directly. Kinetic analysis revealed that, with an increase in the temperature from 298 to 333 K, the reaction rate constants increased by 285–362% at the first stage. However, the equilibrium constants decreased by 17.7–21.3% at the second stage. Taking both the kinetics and energy penalty into account, the triethylenetetramine/N,N-dimethylcyclohexylamine solution with a lean loading of 0.4 mol mol −1 is promising to achieve the high absorption rate and low-energy consumption.
研究领域:
化学工程
·
环境科学
✓ 已验证
DOI
高影响因子
AICHE JOURNAL
·
2015
·Vol. 61
·期 6
·2028-2034
·
IF 2.748
Kaihong Chen,Wenjun Lin,Xini Yu,Xiaoyan Luo,Fang Ding,Xi He,Haoran Li,Congmin Wang
Five kinds of anion-functionalized ionic liquids (ILs) with different basicity and substituent were selected, prepared and applied in the capture of SO 2 from flue gas, where the concentration of SO 2 is only 2000 ppm. The effect of the anion on SO 2 absorption capacity, desorption residue, and available absorption capacity under 2000 ppm was investigated. The relationship between available absorption capacity and absorption enthalpy was also studied. Through a combination of thermodynamic analysis and quantum calculation, the results indicated that the effect of the cation in the IL on absorption enthalpy was significant. However, the effect of chain length in the cation was weak. Hence, a new IL with low molecular weight, [P 4442 ][Tetz], was further designed and applied for the capture of SO 2 , which shows the high absorption capacity of 0.18 g SO 2 per g IL and excellent reversibility for 2000 ppm SO 2 . © 2015 American Institute of Chemical Engineers AIChE J , 61: 2028–2034, 2015
研究领域:
环境科学
·
化学工程
✓ 已验证
产品关联
DOI
高影响因子
Nature Nanotechnology
·
2020
·Vol. 15
·期 3
·192-197
·
IF 31.538
Zhuang Tao-Tao,Li Yi,Gao Xiaoqing,Wei Mingyang,García de Arquer F. Pelayo,Todorović Petar,Tian Jie,Li Gongpu,Zhang Chong,Li Xiyan,Dong Liang,Song Yonghong,Lu Yang,Yang Xuekang,Zhang Libing,Fan Fengjia,Kelley Shana O.,Yu Shu-Hong,Tang Zhiyong,Sargent Edward H.
Chirality—the property of an object wherein it is distinguishable from its mirror image—is of widespread interest in chemistry and biology 1 , 2 , 3 , 4 , 5 , 6 . Regioselective magnetization of one-dimensional semiconductors enables anisotropic magnetism at room temperature, as well as the manipulation of spin polarization—the properties essential for spintronics and quantum computing technology 7 . To enable oriented magneto-optical functionalities, the growth of magnetic units has to be achieved at targeted locations on a parent nanorod. However, this challenge is yet to be addressed in the case of materials with a large lattice mismatch. Here, we report the regioselective magnetization of nanorods independent of lattice mismatch via buffer intermediate catalytic layers that modify interfacial energetics and promote regioselective growth of otherwise incompatible materials. Using this strategy, we combine materials with distinct lattices, chemical compositions and magnetic properties, that is, a magnetic component (Fe 3 O 4 ) and a series of semiconducting nanorods absorbing across the ultraviolet and visible spectrum at specific locations. The resulting heteronanorods exhibit optical activity as induced by the location-specific magnetic field. The regioselective magnetization strategy presented here enables a path to designing optically active nanomaterials for chirality and spintronics.
研究领域:
材料科学
·
纳米技术
·
自旋电子学
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量子计算
·
光学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
COMBUSTION AND FLAME
·
2020
·
IF 4.57
Geyuan Yin,Jiawei Xu,Erjiang Hu,Qunfei Gao,Haochen Zhan,Zuohua Huang
A comprehensive experimental and kinetic study on the low temperature oxidation and pyrolysis of formic acid was conducted. Species profiles measurements were performed in a jet-stirred reactor (JSR) at the temperature range of 600–1100 K under atmospheric pressure, with a fixed residence time of 2.0 s and for the equivalence ratios ranging from 0.5 to ∞ (pyrolysis). High-level quantum calculation was used to obtain the accurate rate coefficients of missing reactions in Glarborg model. A detailed kinetic mechanism, derived from Glarborg model, has been developed based on high-level quantum calculation and validated with the species profiles obtained in this work and laminar flame speeds presented in our group. Reaction pathway and sensitivity analysis were investigated to get the deep insight of the oxidation of formic acid via the modified model. The results showed that unimolecular fuel decomposition reactions dominated the pyrolysis process while H abstraction reactions with the further consumption of the radicals are more important in the oxidation of formic acid. In addition, H abstraction reactions via HO2 become important at relatively low temperature.
研究领域:
化学工程
·
物理化学
·
燃烧科学
✓ 已验证
产品关联
DOI
高影响因子
FOOD CHEMISTRY
·
2023
·
IF 8.8
Xiao Yu,Yanan Chen,Zhiguo Qi,Quan Chen,Yujin Cao,Qingshan Kong
The antioxidant activity of corn peptides is related to their molecular weight and structure. Corn gluten meal (CGM) was hydrolyzed using a combination of Alcalase, Flavorzyme and Protamex, and the hydrolysates were subjected to antioxidant activity analysis after further fractionation. Corn peptides with molecular weights less than 1 kDa (CPP1) exhibited excellent antioxidant activity. A novel peptide, Arg-Tyr-Leu-Leu (RYLL), was identified from CPP1. RYLL displayed preferable scavenging capacities for ABTS radicals and DPPH radicals, with IC 50 values of 0.122 mg/ml and 0.180 mg/ml, respectively. Based on quantum calculations, RYLL had multiple antioxidant active sites, and tyrosine was the main active site due to the highest energy of the highest occupied molecular orbit (HOMO). Moreover, the simple peptide structure and hydrogen bond network of RYLL contributed to the exposure of the active site. This study elucidated the antioxidant mechanism of corn peptides, which could provide an understanding for CGM hydrolysates as natural antioxidants.
研究领域:
食品科学
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生物化学
·
药学化学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
Nature Communications
·
2024
·Vol. 15
·期 1
·1-8
·
IF 14.7
Cheng Bing,Cheng Di,Jiang Tao,Xia Wei,Song Boqun,Mootz Martin,Luo Liang,Perakis Ilias E.,Yao Yongxin,Guo Yanfeng,Wang Jigang
Light engineering of correlated states in topological materials provides a new avenue of achieving exotic topological phases inaccessible by conventional tuning methods. Here we demonstrate a light control of correlation gaps in a model charge-density-wave (CDW) and polaron insulator (TaSe 4 ) 2 I recently predicted to be an axion insulator. Our ultrafast terahertz photocurrent spectroscopy reveals a two-step, non-thermal melting of polarons and electronic CDW gap via the fluence dependence of a longitudinal circular photogalvanic current. This helicity-dependent photocurrent reveals continuous ultrafast phase switches from the polaronic state to the CDW (axion) phase, and finally to a hidden Weyl phase as the pump fluence increases. Additional distinctive attributes aligning with the light-induced switches include: the mode-selective coupling of coherent phonons to the polaron and CDW modulation, and the emergence of a non-thermal chiral photocurrent above the pump threshold of CDW-related phonons. The demonstrated ultrafast chirality control of correlated topological states here holds large potentials for realizing axion electrodynamics and advancing quantum-computing applications.
研究领域:
凝聚态物理
·
光学
·
材料科学
·
量子计算
✓ 已验证
DOI
高影响因子
PROGRESS IN ORGANIC COATINGS
·
2018
·
IF 2.955
Weinan Gong,Xiaoshuang Yin,Ying Liu,Yun Chen,Wenzhong Yang
The inhibitory effects of 2-amino-4-(4-methoxyphenyl)-thiazole (MPT) on mild steel corrosion were evaluated in 0.5 M H 2 SO 4 and 1 M HCl solutions, respectively. From the analysis of potentiodynamic polarization curves and electrochemical impedance spectroscopy, MPT can effectively inhibit the corrosion of mild steel in acidic solutions. Under the optimal conditions, the inhibition efficiency ( η ) was as high as 95% in 0.5 M H 2 SO 4 solution. The inhibition property of MPT was much better than that of the reported corrosion inhibitor 2-amino-4-phenylthiazole (APT). Polarization curves also demonstrated that MPT mainly inhibited the anodic corrosion of mild steel in HCl solution and the cathodic corrosion in H 2 SO 4 solution, respectively. The adsorption of MPT on the surface of mild steel was found to obey Langmuir adsorption isotherm in both acid solutions. Quantum calculations suggest that the addition of electron donor group (−OCH 3 ) endowed the molecule better adsorption ability on mild steel surface. The interaction between protonated MPT and anions on Fe (0 0 1) surface was firstly investigated using molecular dynamic stimulations, and the results showed that with the adsorption of sulfate ions, MPTH + had a superior binding energy on the surface of Fe. The investigation of UV–vis spectrum demonstrated the direct correlation of the experimental data and the theoretical calculations.
研究领域:
材料科学
·
腐蚀工程
·
电化学
·
表面科学
✓ 已验证
DOI
高影响因子
ENVIRONMENTAL SCIENCE & TECHNOLOGY
·
2020
·
IF 7.864
Chenkai Jiang,Han Chen,Junliang Wang,Yao Shen,Jiexu Ye,Shihan Zhang,Lidong Wang,Jianmeng Chen
A biphasic solvent features high absorption capacity and low heat duty for CO2 capture. Phase separation behavior is essential to cut down energy penalty. Four phase splitting agents with different hydrophobicities, such as 1,3-dimethyl-2-imidazolidinone (DMI), 1-methyl-2-pyrrolidinone (NMP), N,N-dimethylformamide, and sulfolane, were dosed to biphasic solvents, triethylenetetramine and 2-(diethylamino)ethanol. Experimental results revealed that they can tune the phase separation behavior during CO2 absorption. Generally, under the same CO2 loading, the volume ratio of the rich phase increased with their hydrophobicity (log P), which accounts for over 50%. Moreover, their influences on absorption capacity, kinetics, and thermodynamics were also investigated. After dosing NMP, the heat duty was decreased by 22%. Furthermore, a phase splitting agent with a positive log P was more conducive to reducing the heat duty, and one with a negative log P enhanced the absorption rate. With DMI, the absorption rate was 114% higher than that of MEA at rich loading. The 13C NMR analysis showed that the agents were not involved in CO2 absorption and did not affect the reaction mechanism. Furthermore, quantum calculation was used to verify the reaction mechanism, confirming that the phase splitting agent increases the reaction equilibrium constant and makes it proceed more thoroughly.
研究领域:
化学工程
·
环境科学
·
材料科学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
Matter
·
2020
·
IF 0
Cheng Chen,Aiji Liang,Shuai Liu,Simin Nie,Junwei Huang,Meixiao Wang,Yiwei Li,Ding Pei,Haifeng Yang,Huijun Zheng,Yong Zhang,Donghui Lu,Makoto Hashimoto,Alexei Barinov,Chris Jozwiak,Aaron Bostwick,Eli Rotenberg,Xufeng Kou,Lexian Yang,Yanfeng Guo,Zhijun Wang,Hongtao Yuan,Zhongkai Liu,Yulin Chen
Topological superconductors (TSCs), with the capability to host Majorana bound states that can lead to non-Abelian statistics and application in quantum computation, have been one of the most intensively studied topics in condensed matter physics recently. To date, only a few compounds have been proposed as candidates of intrinsic TSCs, such as doped topological insulator Cu x Bi 2 Se 3 and iron-based superconductor FeTe 0.55 Se 0.45 . Here, by carrying out synchrotron- and laser-based angle-resolved photoemission spectroscopy, we systematically investigated the electronic structure of a quasi-one-dimensional superconductor TaSe 3 and identified the non-trivial topological surface states. In addition, our scanning tunneling microscopy study revealed a clean cleaved surface with a persistent superconducting gap, proving it suitable for further investigation of potential Majorana modes. These results prove TaSe 3 as a stoichiometric TSC candidate that is stable and exfoliable and therefore a promising platform for the study of rich novel phenomena and application potentials.
研究领域:
凝聚态物理
·
拓扑量子材料
·
超导电子学
·
表面科学
·
量子计算
✓ 已验证
DOI
CHEMISTRY OF MATERIALS
·
2023
·
IF 8.6
Min Wan,Yan-Ning Wang,Wen-He Zhong,Hao-Ran Chen,Zi-Mu Li,Cai-Hong Shi,Qing-Ling Cao,Jie-Yu Zhu,Li-Zhuang Chen
In the realm of optical and quantum computing, second-harmonic generation (SHG) serves as a valuable nonlinear optical element for both optical signal processing and quantum information processing. Herein, we report a series of innovative nonlinear optical (NLO) materials, denoted as (4-F-BTAB)ReO4, (4-Cl-BTAB)ReO4, and (4-Br-BTAB)ReO4 (BTAB = para-halobenzyltrimethylammoniun), which show illustrious high-contrast “off-on–off” SHG conversion over a broad temperature range. The precise halogen modification of cations not only achieves significant SHG signal intensity (1.08 × KDP–3.23 × KDP) but also elevates phase transition temperatures from 415.5 to 474.4 K. Notably, (4-Br-BTAB)ReO4 demonstrates a heightened SHG-active state with an increase of nearly 60 K, along with a wide band gap of 3.646 eV and enhanced piezoresponse performance of 2.25 V. This study contributes to the diversification of switchable NLO materials.
研究领域:
光学材料
·
量子计算
·
材料科学
·
非线性光学
✓ 已验证
DOI
高影响因子
危险品化学品经营许可证（带存储）