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β-sitosteryl fatty acid esters 1

Caco-2 cells 1

Co3O4/ZSM-5 1

ELID 1

Freundlich 1

Intestinal barrier 1

Lactobacillus 1

Langmuir 1

Langmuir adsorption 1

Langmuir monolayer 1

Metabolic diseases 1

NOx-SCR by NH3 1

Screening model 1

WC(0001)-supported Pd monolayer 1

carbon dioxide photoreduction 1

computational fluid dynamic simulation 1

condensing effect 1

decomposition mechanism 1

density functional theory 1

dipalmitoyl phosphatidylcholine 1

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Mapping the structure-activity relationship of

Worawan PANPIPAT, Hasene KESKIN, Zheng GUO

Frontiers of Chemical Science and Engineering 2015, Volume 9, Issue 1,   Pages 105-113 doi: 10.1007/s11705-015-1502-x

Abstract: C2:0-C18:0) and different degrees of unsaturation (C18:1-C18:3) were investigated in pure and mixed Langmuirthat short chain -sitosteryl fatty acid esters gave smaller mean molecular areas and had decreased monolayer

Keywords： β-sitosteryl fatty acid esters     dipalmitoyl phosphatidylcholine     Langmuir monolayer     condensing    

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Thermal transport properties of monolayer phosphorene: a mini-review of theoretical studies

Guangzhao QIN, Ming HU

Frontiers in Energy 2018, Volume 12, Issue 1,   Pages 87-96 doi: 10.1007/s11708-018-0513-y

Abstract: Phosphorene, a two-dimensional (2D) elemental semiconductor with a high carrier mobility and intrinsic direct band gap, possesses fascinating chemical and physical properties distinctively different from other 2D materials. Its rapidly growing applications in nano-/opto-electronics and thermoelectrics call for fundamental understanding of the thermal transport properties. Considering the fact that there have been so many studies on the thermal transport in phosphorene, it is on emerging demand to have a review on the progress of previous studies and give an outlook on future work. In this mini-review, the unique thermal transport properties of phosphorene induced by the hinge-like structure are examined. There exists a huge deviation in the reported thermal conductivity of phosphorene in literature. Besides, the mechanism underlying the deviation is discussed by reviewing the effect of different functionals and cutoff distance in calculating the thermal transport properties of phosphorene. It is found that the (vdW) interactions play a key role in the formation of resonant bonding, which leads to long-ranged interactions. Taking into account of the vdW interactions and including the long-ranged interactions caused by the resonant bonding with large cutoff distance are important for getting the accurate and converged thermal conductivity of phosphorene. Moreover, a fundamental insight into the thermal transport is provided based on the review of resonant bonding in phosphorene. This mini-review summarizes the progress of the thermal transport in phosphorene and gives an outlook on future horizons, which would benefit the design of phosphorene based nano-electronics.

Keywords： thermal transport     phosphorene     resonant bonding    

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On the monolayer dispersion behavior of Co3O4 on HZSM-5 support: designing applicable

Frontiers of Chemical Science and Engineering 2023, Volume 17, Issue 11,   Pages 1741-1754 doi: 10.1007/s11705-023-2332-x

Abstract: Based on monolayer dispersion theory, Co3O4/ZSM-5 catalysts with different loadingsCo3O4 can spontaneously disperse on HZSM-5 support with a monolayer dispersionBelow the monolayer dispersion threshold, Co3O4 is finely dispersed as sub-monolayersharmful to the reaction performance. 4% Co3O4/ZSM-5, the catalyst close to the monolayer

Keywords： Co3O4/ZSM-5     NOx-SCR by NH3     monolayer dispersion    

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Biosorption of Direct Black 38 by dried anaerobic granular sludge

WANG Xuejiang, XIA Siqing, ZHAO Jianfu

Frontiers of Environmental Science & Engineering 2008, Volume 2, Issue 2,   Pages 198-202 doi: 10.1007/s11783-008-0031-y

Abstract: The adsorption equilibrium data fit very well with both Langmuir and Freundlich models in the concentration

Keywords： Langmuir     kJ/mol     temperature     removal     Freundlich    

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Investigation of carbon dioxide photoreduction process in a laboratory-scale photoreactor by computational fluid dynamic and reaction kinetic modeling

Frontiers of Chemical Science and Engineering 2022, Volume 16, Issue 7,   Pages 1149-1163 doi: 10.1007/s11705-021-2096-0

Abstract: The production of solar fuels via the photoreduction of carbon dioxide to methane by titanium oxide is a promising process to control greenhouse gas emissions and provide alternative renewable fuels. Although several reaction mechanisms have been proposed, the detailed steps are still ambiguous, and the limiting factors are not well defined. To improve our understanding of the mechanisms of carbon dioxide photoreduction, a multiphysics model was developed using COMSOL. The novelty of this work is the computational fluid dynamic model combined with the novel carbon dioxide photoreduction intrinsic reaction kinetic model, which was built based on three-steps, namely gas adsorption, surface reactions and desorption, while the ultraviolet light intensity distribution was simulated by the Gaussian distribution model and Beer-Lambert model. The carbon dioxide photoreduction process conducted in a laboratory-scale reactor under different carbon dioxide and water moisture partial pressures was then modeled based on the intrinsic kinetic model. It was found that the simulation results for methane, carbon monoxide and hydrogen yield match the experiments in the concentration range of 10−4 mol·m–3 at the low carbon dioxide and water moisture partial pressure. Finally, the factors of adsorption site concentration, adsorption equilibrium constant, ultraviolet light intensity and temperature were evaluated.

Keywords： carbon dioxide photoreduction     computational fluid dynamic simulation     kinetic model     Langmuir adsorption    

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Mechanism of methanol decomposition on the Pd/WC(0001) surface unveiled by first-principles calculations

Jinhua Zhang, Yuanbin She

Frontiers of Chemical Science and Engineering 2020, Volume 14, Issue 6,   Pages 1052-1064 doi: 10.1007/s11705-019-1908-y

Abstract: In this study, the decomposition of methanol into the CO and H species on the Pd/tungsten carbide (WC)(0001) surface is systematically investigated using periodic density functional theory (DFT) calculations. The possible reaction pathways and intermediates are determined. The results reveal that saturated molecules, i.e., methanol and formaldehyde, adsorb weakly on the Pd/WC(0001) surface. Both CO and H prefer three-fold sites, with adsorption energies of ‒1.51 and ‒2.67 eV, respectively. On the other hand, CH O stably binds at three-fold and bridge sites, with an adsorption energy of ‒2.58 eV. However, most of the other intermediates tend to adsorb to the surface with the carbon and oxygen atoms in their sp and hydroxyl-like configurations, respectively. Hence, the C atom of CH OH preferentially attaches to the top sites, CHOH and CH O adsorb at the bridge sites, while COH and CHO occupy the three-fold sites. The DFT calculations indicate that the rupture of the initial C–H bond promotes the decomposition of CH OH and CH OH, whereas in the case of CHOH, O–H bond scission is favored over the C–H bond rupture. Thus, the most probable methanol decomposition pathway on the Pd/WC(0001) surface is CH OH → CH OH → -CHOH → CHO → CO. The present study demonstrates that the synergistic effect of WC (as carrier) and Pd (as catalyst) alters the CH OH decomposition pathway and reduces the noble metal utilization.

Keywords： density functional theory     methanol     direct methanol fuel cells     WC(0001)-supported Pd monolayer     decomposition    

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Ultra-precision ductile grinding of BK7 using super abrasive diamond wheel

ZHAO Qingliang, Brinksmeier Ekkard, Riemer Oltmann, Rickens Kai

Frontiers of Mechanical Engineering 2007, Volume 2, Issue 3,   Pages 350-355 doi: 10.1007/s11465-007-0061-3

Abstract: in-process dressing (ELID) is first developed to precisely and effectively condition a nickel-electroplated monolayer

Keywords： ELID     peripheral     electrolytic in-process     nickel-electroplated monolayer     measurement    

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A Screening Model for Probiotics Against Specific Metabolic Diseases Based on Caco-2 Monolayer Membrane Article

Yang Liu, Jiang Peng, Shiya Zhu, Leilei Yu, Fengwei Tian, Jianxin Zhao, Hao Zhang, Wei Chen, Qixiao Zhai

Engineering 2023, Volume 25, Issue 6,   Pages 222-233 doi: 10.1016/j.eng.2022.02.014

Abstract: In the present study, a Caco-2 cell monolayer membrane model treated with tumor necrosis factor (TNF-This study established a potential in vitro approach based on a Caco-2 cell monolayer membrane model

Keywords： Lactobacillus     Intestinal barrier     Caco-2 cells     Screening model     Metabolic diseases    

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Title Author Date Type Operation

Mapping the structure-activity relationship of

Worawan PANPIPAT, Hasene KESKIN, Zheng GUO

Journal Article

Thermal transport properties of monolayer phosphorene: a mini-review of theoretical studies

Guangzhao QIN, Ming HU

Journal Article

On the monolayer dispersion behavior of Co3O4 on HZSM-5 support: designing applicable

Journal Article

Biosorption of Direct Black 38 by dried anaerobic granular sludge

WANG Xuejiang, XIA Siqing, ZHAO Jianfu

Journal Article

Investigation of carbon dioxide photoreduction process in a laboratory-scale photoreactor by computational fluid dynamic and reaction kinetic modeling

Journal Article

Mechanism of methanol decomposition on the Pd/WC(0001) surface unveiled by first-principles calculations

Jinhua Zhang, Yuanbin She

Journal Article

Ultra-precision ductile grinding of BK7 using super abrasive diamond wheel

ZHAO Qingliang, Brinksmeier Ekkard, Riemer Oltmann, Rickens Kai

Journal Article

A Screening Model for Probiotics Against Specific Metabolic Diseases Based on Caco-2 Monolayer Membrane

Yang Liu, Jiang Peng, Shiya Zhu, Leilei Yu, Fengwei Tian, Jianxin Zhao, Hao Zhang, Wei Chen, Qixiao Zhai

Journal Article