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Calculation of Bond-length, Bond-energy and Force Constant of Hydrogen Molecule by Classical Mechanics

Chen Jing

Strategic Study of CAE 2003, Volume 5, Issue 6,   Pages 39-43

Abstract:

The 1s electron cloud in hydrogen atom has the largest probability density distribution around a sphericalelectron cloud belong in fact, to statistic regularity, and imply a macro-time scale is used, therefore in hydrogenBased on the overlap of electron cloud, the ground state hydrogen molecule structural parameters arecalculated with the classical mechanics, and the hydrogen molecule bond-length Re, bonding-energyIn this calculation, hydrogen molecule chemical bonding model is concise and has clear physical meaning

Keywords： hydrogen molecule     bond-length     bond-energy     force constant    

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Calculation of H2+ Structural Parameters based on Hydrogen Atomic Protonized Model

Chen Jing

Strategic Study of CAE 2004, Volume 6, Issue 11,   Pages 29-32

Abstract:

The hydrogen atomic protonized model was introduced in present paper for calculation of H2hydrogenThree formulas deduced from above model for bond-length, bond-energy and force constant of hydrogen molecule

Keywords： hydrogen molecule ion     bond-length     bond-energy     force constant    

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Laser ablation of block copolymers with hydrogen-bonded azobenzene derivatives

Jintang Huang, Youju Huang, Si Wu

Frontiers of Chemical Science and Engineering 2018, Volume 12, Issue 3,   Pages 450-456 doi: 10.1007/s11705-018-1735-6

Abstract:

Supramolecular assemblies (PS-b-P4VP(AzoR)) are fabricated by hydrogen-bonding azobenzene derivatives

Keywords： laser ablation     block copolymers     hydrogen-bond     azobenzene derivatives     supramolecular assembly    

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Effect of embedment length of untreated natural fibres on the bond behaviour in cement mortar

Gudimella RAMAKRISHNA, Sriraman PRIYADHARSHINI

Frontiers of Structural and Civil Engineering 2018, Volume 12, Issue 4,   Pages 454-460 doi: 10.1007/s11709-017-0454-2

Abstract: effects of various matrices with 1:3, 1:4 and 1:5 mortars and fibre types of sisal and coir on the bondFrom the results, it is seen that the bond strength is improving with respect to age of curing in casesuch as mortar mixes, sand gradation, w/c ratio and embedded length also showed significant effect on bond

Keywords： bond strength     cement mortar     natural fibre     pullout test     type of failure    

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Study of bond strength between various grade of Ordinary Portland Cement (OPC) and Portland Pozzolane

A D POFALE, S P WANJARI

Frontiers of Structural and Civil Engineering 2013, Volume 7, Issue 1,   Pages 39-45 doi: 10.1007/s11709-013-0193-y

Abstract: But, till to date, a few literature is available on bond strength of concrete using PPC mixes.Hence, a comparative study was conducted on bond strength between OPC and PPC mixes.observed at 0.25 mm slip at loaded end called as critical bond stress and at maximum bond load calledas maximum bond stress.Whereas, marginal improvement was noticed in maximum bond strength of PPC mixes.

Keywords： bond strength     Portland Pozzolane Cement (PPC) concrete     Ordinary Portland Cement (OPC) concrete     bond between    

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Effect of noble metal nanoparticle size on C–N bond cleavage performance in hydrodenitrogenation: a study

Frontiers of Chemical Science and Engineering 2023, Volume 17, Issue 12,   Pages 1986-2000 doi: 10.1007/s11705-023-2337-5

Abstract: Breakage of the C–N bond is a structure sensitive process, and the catalyst size significantly affectsOn the active metal nanoparticle scale, the role of catalyst size in C–N bond cleavage has not been clearlyResults showed a 13 times higher reaction rate for sp3-hybridized C–N bond cleavage than sp2-hybridized C–N bond cleavage, while the reaction rate tended to increase first and thencleavage activity, and the step atoms are the active sites for the C–N bond cleavage.

Keywords： sp3/sp2-hybridized C–N bond     noble metal nanoparticle     catalytic active site     turnover    

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The effect of carbon nanotubes and polypropylene fibers on bond of reinforcing bars in strain resilient

Souzana P. TASTANI,Maria S. KONSTA-GDOUTOS,Stavroula J. PANTAZOPOULOU,Victor BALOPOULOS

Frontiers of Structural and Civil Engineering 2016, Volume 10, Issue 2,   Pages 214-223 doi: 10.1007/s11709-016-0332-3

Abstract: bars and concrete is engaged through rib translation relative to concrete, and comprises longitudinal bondreleased upon radial cracking of the cover along the anchorage with commensurate abrupt loss of the bondAny improvement of the matrix tensile properties is expected to favorably affect bond in terms of strengthslip, residual resistance and controlled slippage.The aim of this paper is to investigate the local bondstrength up to large levels of controlled bar-slip; the elasto-plastic bond response envelope was a

Keywords： carbon nanotubes     strain resilient cementitious composite     polypropylene fibers     tensile bending     bond    

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Effect of bond enhancement using carbon nanotubes on flexural behavior of RC beams strengthened with

Frontiers of Structural and Civil Engineering 2022, Volume 16, Issue 1,   Pages 131-143 doi: 10.1007/s11709-021-0787-8

Abstract: This paper studied the effect of incorporation of carbon nanotubes (CNTs) in carbon fiber reinforced polymer (CFRP) on strengthening of reinforced concrete (RC) beams. The RC beams were prepared, strengthened in flexure by externally bonded CFRP or CNTs-modified CFRP sheets, and tested under four-point loading. The experimental results showed the ability of the CNTs to delay the initiation of the cracks and to enhance the flexural capacity of the beams strengthened with CFRP. A nonlinear finite element (FE) model was built, validated, and used to study the effect of various parameters on the strengthening efficiency of CNTs-modified CFRP. The studied parameters included concrete strength, flexural reinforcement ratio, and CFRP sheet configuration. The numerical results showed that utilization of CNTs in CFRP production improved the flexural capacity of the strengthened beams for U-shape and underside-strip configurations. The enhancement was more pronounced in the case of U-shape than in the case of use of sheet strip covers on the underside of the beam. In case of using underside-strip, the longer or the wider the sheet, the higher was the flexural capacity of the beams. The flexural enhancement of RC beams by strengthening with CNTs-modified CFRP decreased with increasing the rebar diameter and was not affected by concrete strength.

Keywords： RC beams     flexural     strengthening     CFRP     CNTs     finite element    

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Supramolecular self-assembly of two-component systems comprising aromatic amides/Schiff base and tartaric acid

Xin Wang, Wei Cui, Bin Li, Xiaojie Zhang, Yongxin Zhang, Yaodong Huang

Frontiers of Chemical Science and Engineering 2020, Volume 14, Issue 6,   Pages 1112-1121 doi: 10.1007/s11705-019-1865-5

Abstract: results of Fourier transform infrared spectroscopy and X-ray diffraction revealed the existence of hydrogen

Keywords： supramolecular self-assembly     organogel     liquid crystal     tartaric acid     hydrogen bond    

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Controllable synthesis of a large TS-1 catalyst for clean epoxidation of a C=C double bond under mild

Frontiers of Chemical Science and Engineering 2023, Volume 17, Issue 6,   Pages 772-783 doi: 10.1007/s11705-022-2280-x

Abstract: Development of a titanium silicalite-1 (TS-1) catalyst with good crystallinity and a four-coordinate Ti framework is critical for efficient catalytic oxidation reaction under mild conditions. Herein, a size-controlled TS-1 zeolite (TS-1#0.1ACh (acetylcholine)) was synthesized via steam-assisted crystallization by introducing acetylcholine as a crystal growth modifier in the preparation process, and TS-1#0.1ACh was also employed in epoxidations of different substrates containing C=C double bonds. The crystalline sizes of the as-synthesized TS-1#0.1ACh catalysts were controlled with the acetylcholine content, and characterization results showed that the particle sizes of highly crystalline TS-1#0.1ACh zeolite reached 3.0 μm with a good Ti framework. Throughout the synthetic process, the growth rate of the crystals was accelerated by electrostatic interactions between the connected hydroxyl groups of the acetylcholine modifier and the negatively charged skeleton of the pre-zeolites. Furthermore, the TS-1#0.1ACh catalyst demonstrated maximum catalytic activity, good selectivity and high stability during epoxidation of allyl chloride. Importantly, the TS-1#0.1ACh catalyst was also highly versatile and effective with different unsaturated substrates. These findings may provide novel, easily separable and large TS-1 catalysts for efficient and clean industrial epoxidations of C=C double bonds.

Keywords： size-controlled TS-1     crystal modifier     steam-assisted crystallization     epoxidation    

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Prediction of the flash points of alkanes by group bond contribution method using artificial neural networks

PAN Yong, JIANG Juncheng, WANG Zhirong

Frontiers of Chemical Science and Engineering 2007, Volume 1, Issue 4,   Pages 390-394 doi: 10.1007/s11705-007-0071-z

Abstract: A group bond contribution model using artificial neural networks, which had the high ability of nonlinear

Keywords： information     nonlinear     quantitative correlation     superior     molecular    

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Steel Fiber–Matrix Interfacial Bond in Ultra-High Performance Concrete: A Review Review

Yulin Deng,Zuhua Zhang,Caijun Shi,Zemei Wu,Chaohui Zhang

Engineering 2023, Volume 22, Issue 3,   Pages 215-232 doi: 10.1016/j.eng.2021.11.019

Abstract: The steel fiber–matrix interfacial bond is the main factor that governs other mechanical propertiesThis paper presents a comprehensive review on the research progress of fiber–matrix bond behaviorsThe parameters of the fiber–matrix bond, including the geometry and orientation of fibers, surface

Keywords： Ultra-high performance concrete     Interfacial bond     Steel fiber     Pullout behavior    

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A systemic review of hydrogen supply chain in energy transition

Frontiers in Energy 2023, Volume 17, Issue 1,   Pages 102-122 doi: 10.1007/s11708-023-0861-0

Abstract: Targeting the net-zero emission (NZE) by 2050, the hydrogen industry is drastically developing in recentHowever, the technologies of hydrogen upstream production, midstream transportation and storage, andIn this paper, the development of hydrogen industry from the production, transportation and storage,In the upstream, blue hydrogen is dominating the current hydrogen supply, and an implementation of carbonTo achieve an economic feasibility, green hydrogen needs to reduce its cost by 75% to approximately 2

Keywords： hydrogen production     hydrogen transportation and storage     hydrogen economy     carbon capture and sequestration    

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Recent advances of small-molecule fluorescent probes for detecting biological hydrogen sulfide

Frontiers of Chemical Science and Engineering 2022, Volume 16, Issue 1,   Pages 34-63 doi: 10.1007/s11705-021-2050-1

Abstract: Moreover, we also introduced some probes for hydrogen polysulfides.

Keywords： hydrogen sulfide     fluorescent probe     reducibility     nucleophilicity     copper sulfide precipitate     hydrogen    

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Production of hydrogen from fossil fuel: A review

Frontiers in Energy 2023, Volume 17, Issue 5,   Pages 585-610 doi: 10.1007/s11708-023-0886-4

Abstract: Production of hydrogen, one of the most promising alternative clean fuels, through catalytic conversionCatalytic conversion of natural gas into hydrogen and carbon is thermodynamically favorable under atmosphericHowever, using noble metals as a catalyst is costly for hydrogen production, thus mandating non-nobleThis paper reviews the various hydrogen production methods from fossil fuels through pyrolysis, partialoxidation, autothermal, and steam reforming, emphasizing the catalytic production of hydrogen via steam

Keywords： methane     catalytic conversion     natural gas     hydrogen production     CCUS    

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Title Author Date Type Operation

Calculation of Bond-length, Bond-energy and Force Constant of Hydrogen Molecule by Classical Mechanics

Chen Jing

Journal Article

Calculation of H2+ Structural Parameters based on Hydrogen Atomic Protonized Model

Chen Jing

Journal Article

Laser ablation of block copolymers with hydrogen-bonded azobenzene derivatives

Jintang Huang, Youju Huang, Si Wu

Journal Article

Effect of embedment length of untreated natural fibres on the bond behaviour in cement mortar

Gudimella RAMAKRISHNA, Sriraman PRIYADHARSHINI

Journal Article

Study of bond strength between various grade of Ordinary Portland Cement (OPC) and Portland Pozzolane

A D POFALE, S P WANJARI

Journal Article

Effect of noble metal nanoparticle size on C–N bond cleavage performance in hydrodenitrogenation: a study

Journal Article

The effect of carbon nanotubes and polypropylene fibers on bond of reinforcing bars in strain resilient

Souzana P. TASTANI,Maria S. KONSTA-GDOUTOS,Stavroula J. PANTAZOPOULOU,Victor BALOPOULOS

Journal Article

Effect of bond enhancement using carbon nanotubes on flexural behavior of RC beams strengthened with

Journal Article

Supramolecular self-assembly of two-component systems comprising aromatic amides/Schiff base and tartaric acid

Xin Wang, Wei Cui, Bin Li, Xiaojie Zhang, Yongxin Zhang, Yaodong Huang

Journal Article

Controllable synthesis of a large TS-1 catalyst for clean epoxidation of a C=C double bond under mild

Journal Article

Prediction of the flash points of alkanes by group bond contribution method using artificial neural networks

PAN Yong, JIANG Juncheng, WANG Zhirong

Journal Article

Steel Fiber–Matrix Interfacial Bond in Ultra-High Performance Concrete: A Review

Yulin Deng,Zuhua Zhang,Caijun Shi,Zemei Wu,Chaohui Zhang

Journal Article

A systemic review of hydrogen supply chain in energy transition

Journal Article

Recent advances of small-molecule fluorescent probes for detecting biological hydrogen sulfide

Journal Article

Production of hydrogen from fossil fuel: A review

Journal Article