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Computational design of heterogeneous catalysts and gas separation materials for advanced chemical processing

Huaiwei Shi, Teng Zhou

Frontiers of Chemical Science and Engineering 2021, Volume 15, Issue 1,   Pages 49-59 doi: 10.1007/s11705-020-1959-0

Abstract: This article selectively focuses on two important process functional materials, namely heterogeneous

Keywords： heterogeneous catalyst     gas separation     solvent     porous adsorbent     material screening and design    

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Application of heterogeneous catalysis to biodiesel synthesis using microalgae oil

Frontiers of Environmental Science & Engineering 2021, Volume 15, Issue 5, doi: 10.1007/s11783-020-1343-9

Abstract:

• Microalgae oil application for biodiesel synthesis is discussed.

Keywords： Biodiesel     Heterogeneous catalysis     Transesterification     Microalgae oil    

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Undrained seismic bearing capacity of strip footing adjacent to a heterogeneous excavation

Frontiers of Structural and Civil Engineering 2023, Volume 17, Issue 4,   Pages 566-583 doi: 10.1007/s11709-023-0905-x

Abstract: The analysis of the bearing capacity of strip footings sited near an excavation is critical in geotechnics. In this study, the effects of the geometrical features of the excavation and the soil strength properties on the seismic bearing capacity of a strip footing resting on an excavation were evaluated using the lower and upper bounds of the finite element limit analysis method. The effects of the setback distance ratio (L/B), excavation height ratio (H/B), soil strength heterogeneity (kB/cu), and horizontal earthquake coefficient (kh) were analyzed. Design charts and tables were produced to clarify the relationship between the undrained seismic bearing capacity and the selected parameters.

Keywords： excavation     finite element limit analysis     heterogeneous soil     strip footing     undrained bearing capacity    

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Precursor-driven structural tailoring of iron oxychloride for enhanced heterogeneous Fenton activity

Frontiers of Chemical Science and Engineering 2023, Volume 17, Issue 10,   Pages 1533-1543 doi: 10.1007/s11705-023-2330-z

Abstract: Iron oxychloride (FeOCl) is a unique layered material with tunable electronic properties. The conventional synthetic route of chemical vapor transition involves a thermodynamics-driven gas–solid interfacial reaction which often generates macroscopic crystals with stable facets. In this study, through analyzing the effects of the synthetic parameters on the FeOCl synthesis, we discovered the dominant contribution of the α-Fe2O3 precursors on the chemical property of the FeOCl product, and subsequently developed a highly-controllable synthetic route of tailoring the FeOCl structures into small sizes and exposed high-energy facets via a facile and scalable mechanical-chemical approach. The synthesized products could be systematically tuned by the ball-milling conditions of the α-Fe2O3 precursors. With increased milling time, the FeOCl crystallites demonstrated reduced sizes and more exposed (110) facets. Intriguingly, these small-sized FeOCl catalysts exhibited much faster Fenton-like kinetics than the pristine macroscopic FeOCl materials. Specifically, FeOCl catalysts with a 12-hour milling time showed nearly 39 times higher efficiency toward phenol degradation than the pristine FeOCl. The structure-reactivity relationship was further elucidated using the combinatory analysis via density functional theory calculation, electron paramagnetic resonance and radical quenching probe experiments. This work provides a rationale for tailoring the surface structures of FeOCl crystallites for potential applications in environmental catalysis.

Keywords： FeOCl     mechanical activation     heterogeneous Fenton reaction     ball milling    

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of herding behavior of tradable green certificate market players on market efficiency: Insights from heterogeneous

Frontiers in Energy 2023, Volume 17, Issue 2,   Pages 266-285 doi: 10.1007/s11708-021-0752-1

Abstract: This paper proposes and simulates an artificial TGC market model which contains heterogeneous agents,

Keywords： tradable green certificate     herding behavior     evolution     heterogeneous agent model     complex network    

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Using heterogeneous patent network features to rank and discover influential inventors

Yong-ping DU,Chang-qing YAO,Nan LI

Frontiers of Information Technology & Electronic Engineering 2015, Volume 16, Issue 7,   Pages 568-578 doi: 10.1631/FITEE.1400394

Abstract: entity sorting algorithms are implemented in a homogeneous network, and they are not applicable to a heterogeneouspresent an iteration algorithm called inventor-ranking, to sort the influences of patent inventors in heterogeneousthe traditional methods such as PageRank, our approach takes full advantage of the information in the heterogeneous

Keywords： Heterogeneous patent network     Influence     Rule-based ranking    

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Elastic analysis of heterogeneous thick-walled spherical pressure vessels with parabolic varying properties

Keyhan KARAMI, Majid ABEDI, Mohammad ZAMANI NEJAD, Mohammad Hassan LOTFIAN

Frontiers of Mechanical Engineering 2012, Volume 7, Issue 4,   Pages 433-438 doi: 10.1007/s11465-012-0336-1

Abstract: (PET), the displacement and stress components in a thick-walled spherical pressure vessels made of heterogeneous

Keywords： thick-walled spherical vessels     heterogeneous materials     FGM     FEM     parabolic varying properties    

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Enhanced heterogeneous Fenton-like activity by Cu-doped BiFeO

Jie Mao, Xie Quan, Jing Wang, Cong Gao, Shuo Chen, Hongtao Yu, Yaobin Zhang

Frontiers of Environmental Science & Engineering 2018, Volume 12, Issue 6, doi: 10.1007/s11783-018-1060-9

Abstract:

OH played a key role in heterogeneous Fenton-like catalytic oxidation

Keywords： Cu doped BiFeO3     Heterogeneous Fenton-like catalysts     Oxidative degradation    

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Fe-Mn-sepiolite as an effective heterogeneous Fenton-like catalyst for the decolorization of reactive

Chengyuan SU,Weiguang LI,Xingzhe LIU,Xiaofei HUANG,Xiaodan YU

Frontiers of Environmental Science & Engineering 2016, Volume 10, Issue 1,   Pages 37-45 doi: 10.1007/s11783-014-0729-y

Abstract: of the decolorization of reactive brilliant blue in an aqueous solution using Fe-Mn-sepiolite as a heterogeneous

Keywords： Fe-Mn-sepiolite catalyst     heterogeneous Fenton-like     reactive brilliant blue     homogeneous precipitation    

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Combining extractive heterogeneous-azeotropic distillation and hydrophilic pervaporation for enhanced

Eniko Haaz, Botond Szilagyi, Daniel Fozer, Andras Jozsef Toth

Frontiers of Chemical Science and Engineering 2020, Volume 14, Issue 5,   Pages 913-927 doi: 10.1007/s11705-019-1877-1

Abstract: A new method which combines extractive heterogeneous-azeotropic distillation (EHAD) and hydrophilic pervaporationThis improved distillation method combines the benefits of heterogeneous-azeotropic and extractive distillationsExtractive heterogeneous-distillation combined with methanol dehydration was found to be more efficient

Keywords： hydrophilic pervaporation     non-ideal mixture     modelling     extractive heterogeneous-azeotropic distillation    

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Heterogeneous reaction mechanism of gaseous HNO

Nan ZHAO,Qingzhu ZHANG,Wenxing WANG

Frontiers of Environmental Science & Engineering 2016, Volume 10, Issue 5, doi: 10.1007/s11783-016-0836-z

Abstract: We studied the heterogeneous reaction mechanism of gaseous HNO with solid NaCl.HCl is released from heterogeneous reactions between gaseous HNO and solid NaCl.This paper aimed at the heterogeneous reaction between gaseous HNO and solid NaCl.The results imply that water molecules induce the surface reconstruction, which is essential for the heterogeneousHCl is released from heterogeneous reactions between gaseous HNO and solid NaCl and can react with OH

Keywords： Seasalt particles     NaCl     HNO3     Heterogeneous reaction     Reaction mechanism     Density functional theory    

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A multiscale material model for heterogeneous liquid droplets in solid soft composites

Frontiers of Structural and Civil Engineering 2021, Volume 15, Issue 5,   Pages 1292-1299 doi: 10.1007/s11709-021-0771-3

Abstract: Liquid droplets in solid soft composites have been attracting increasing attention in biological applications. In contrary with conventional composites, which are made of solid elastic inclusions, available material models for composites including liquid droplets are for highly idealized configurations and do not include all material real parameters. They are also all deterministic and do not address the uncertainties arising from droplet radius, volume fraction, dispersion and agglomeration. This research revisits the available models for liquid droplets in solid soft composites and presents a multiscale computational material model to determine their elastic moduli, considering nearly all relevant uncertainties and heterogeneities at different length scales. The effects of surface tension at droplets interface, their volume fraction, size, size polydispersity and agglomeration on elastic modulus, are considered. Different micromechanical material models are incorporated into the presented computational framework. The results clearly indicate both softening and stiffening effects of liquid droplets and show that the model can precisely predict the effective properties of liquid droplets in solid soft composites.

Keywords： liquid in solid     soft composite     computational modeling     multiscale model     heterogeneity    

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Simulation of heterogeneous two-phase media using random fields and level sets

George STEFANOU

Frontiers of Structural and Civil Engineering 2015, Volume 9, Issue 2,   Pages 114-120 doi: 10.1007/s11709-014-0267-5

Abstract: The accurate and efficient simulation of random heterogeneous media is important in the framework ofThis paper provides a critical examination of existing random field models of heterogeneous two-phase

Keywords： microstructure     random fields     level sets     shape recovery     two-phase media    

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Capacity analysis for cognitive heterogeneous networks with ideal/non-ideal sensing

Tao HUANG, Ying-lei TENG, Meng-ting LIU, Jiang LIU

Frontiers of Information Technology & Electronic Engineering 2015, Volume 16, Issue 1,   Pages 1-11 doi: 10.1631/FITEE.1400129

Abstract: Due to irregular deployment of small base stations (SBSs), the interference in cognitive heterogeneous

Keywords： Cognitive heterogeneous networks     Markov chain     Stochastic geometry     Homogeneous Poisson point process (    

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Energy-aware scheduling with reconstruction and frequency equalization on heterogeneous systems

Yong-xing LIU,Ken-li LI,Zhuo TANG,Ke-qin LI

Frontiers of Information Technology & Electronic Engineering 2015, Volume 16, Issue 7,   Pages 519-531 doi: 10.1631/FITEE.1400399

Abstract: for green computing, energy efficiency has become one of the critical challenges in high-performance heterogeneousenergy-aware scheduling algorithm with equalized frequency, called EASEF, for parallel applications on heterogeneous

Keywords： Directed acyclic graph     Dynamic voltage scaling     Energy aware     Heterogeneous systems     Task scheduling    

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Title Author Date Type Operation

Computational design of heterogeneous catalysts and gas separation materials for advanced chemical processing

Huaiwei Shi, Teng Zhou

Journal Article

Application of heterogeneous catalysis to biodiesel synthesis using microalgae oil

Journal Article

Undrained seismic bearing capacity of strip footing adjacent to a heterogeneous excavation

Journal Article

Precursor-driven structural tailoring of iron oxychloride for enhanced heterogeneous Fenton activity

Journal Article

of herding behavior of tradable green certificate market players on market efficiency: Insights from heterogeneous

Journal Article

Using heterogeneous patent network features to rank and discover influential inventors

Yong-ping DU,Chang-qing YAO,Nan LI

Journal Article

Elastic analysis of heterogeneous thick-walled spherical pressure vessels with parabolic varying properties

Keyhan KARAMI, Majid ABEDI, Mohammad ZAMANI NEJAD, Mohammad Hassan LOTFIAN

Journal Article

Enhanced heterogeneous Fenton-like activity by Cu-doped BiFeO

Jie Mao, Xie Quan, Jing Wang, Cong Gao, Shuo Chen, Hongtao Yu, Yaobin Zhang

Journal Article

Fe-Mn-sepiolite as an effective heterogeneous Fenton-like catalyst for the decolorization of reactive

Chengyuan SU,Weiguang LI,Xingzhe LIU,Xiaofei HUANG,Xiaodan YU

Journal Article

Combining extractive heterogeneous-azeotropic distillation and hydrophilic pervaporation for enhanced

Eniko Haaz, Botond Szilagyi, Daniel Fozer, Andras Jozsef Toth

Journal Article

Heterogeneous reaction mechanism of gaseous HNO

Nan ZHAO,Qingzhu ZHANG,Wenxing WANG

Journal Article

A multiscale material model for heterogeneous liquid droplets in solid soft composites

Journal Article

Simulation of heterogeneous two-phase media using random fields and level sets

George STEFANOU

Journal Article

Capacity analysis for cognitive heterogeneous networks with ideal/non-ideal sensing

Tao HUANG, Ying-lei TENG, Meng-ting LIU, Jiang LIU

Journal Article

Energy-aware scheduling with reconstruction and frequency equalization on heterogeneous systems

Yong-xing LIU,Ken-li LI,Zhuo TANG,Ke-qin LI

Journal Article