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Numerical simulation and experimental verification of chemical reactions for SCR DeNO

Qiang ZHANG, Yonglin FAN, Wenyan LI

Frontiers of Chemical Science and Engineering 2010, Volume 4, Issue 4,   Pages 523-528 doi: 10.1007/s11705-010-0520-y

Abstract: There are a lot of complex chemical reactions in SCR reactors, and it is of great significance to understandthe internal process of chemical reactions for SCR DeNO and study the impact of various factors onand resident time in the catalyst bed layer on NO removal efficiency were studied by simulation of chemicalreactions.

Keywords: SCR     NOx     removal efficiency     chemical reactions     simulation    

Chemical reactions of oily sludge catalyzed by iron oxide under supercritical water gasification condition

Frontiers of Chemical Science and Engineering 2022, Volume 16, Issue 6,   Pages 886-896 doi: 10.1007/s11705-021-2125-z

Abstract: Supercritical water gasification is a promising technology in dealing with the degradation of hazardous waste, such as oily sludge, accompanied by the production of fuel gases. To evaluate the mechanism of Fe2O3 catalyst and the migration pathways of heteroatoms and to investigate the systems during the process, reactive force field molecular dynamics simulations are adopted. In terms of the catalytic mechanisms of Fe2O3, the surface lattice oxygen is consumed by small carbon fragments to produce CO and CO2, improving the catalytic performance of the cluster due to more unsaturated coordination Fe sites exposed. Lattice oxygen combines with •H radicals to form water molecules, improving the catalytic performance. Furthermore, the pathway of asphaltene degradation was revealed at an atomic level, as well as products. Moreover, the adsorption of hydroxyl radical on the S atom caused breakage of the two C–S bonds in turn, forming •HSO intermediate, so that the organic S element was fixed into the inorganic liquid phase. The heteroatom O was removed under the effects of supercritical water. Heavy metal particles presented in the oily sludge, such as iron in association with Fe2O3 catalyst, helped accelerate the degradation of asphaltenes.

Keywords: oily sludge     SCWG     ReaxFF     Fe2O3     heteroatoms    

Sustainable functionalization and modification of materials via multicomponent reactions in water

Frontiers of Chemical Science and Engineering 2022, Volume 16, Issue 9,   Pages 1318-1344 doi: 10.1007/s11705-022-2150-6

Abstract: Particularly, the combination of multicomponent reactions in water and aqueous media with materials chemistryMulticomponent reactions have received significant consideration from the community of material chemistryAlso, by rational design of multicomponent reactions in water and aqueous media, the performance of somemulticomponent reactions could be enhanced by the contributing “natural” form of water-soluble materialsThis critical review highlights the utility of various kinds of multicomponent reactions in water and

Keywords: materials     multicomponent reactions     modification     functionalization     water    

Redox reactions of iron and manganese oxides in complex systems

Jianzhi Huang, Huichun Zhang

Frontiers of Environmental Science & Engineering 2020, Volume 14, Issue 5, doi: 10.1007/s11783-020-1255-8

Abstract: • Mechanisms of redox reactions of Fe- and Mn-oxides were discussed. • Oxidative reactions of Mn- andConspectus Redox reactions of Fe- and Mn-oxides play important roles in the fate and transformation

Keywords: Iron oxides     manganese oxides     reduction     oxidation     complex systems     reaction kinetics and mechanisms    

Kinetic Monte Carlo simulations of plasma-surface reactions on heterogeneous surfaces

Daniil Marinov

Frontiers of Chemical Science and Engineering 2019, Volume 13, Issue 4,   Pages 815-822 doi: 10.1007/s11705-019-1837-9

Abstract: Reactions of atoms and molecules on chamber walls in contact with low temperature plasmas are importantIn this paper, we develop a kinetic Monte Carlo (KMC) model that can effectively handle chemical kinetics

Keywords: plasma-surface interaction     kinetic Monte Carlo     plasma nano technology    

Solar fuel from photo-thermal catalytic reactions with spectrum-selectivity: a review

Sanli TANG, Jie SUN, Hui HONG, Qibin LIU

Frontiers in Energy 2017, Volume 11, Issue 4,   Pages 437-451 doi: 10.1007/s11708-017-0509-z

Abstract: Then, from a technical perspective, a number of experimental or theoretical works are sorted by the chemicalreactions and the sacrificial reagents applied.A discussion is finally presented concerning future development of photo-thermal catalytic reactions

Keywords: photo-thermal catalysis     spectrum-selectivity     solar fuel     full-spectrum    

Reactivity of Pyrogenic Carbonaceous Matter (PCM) in mediating environmental reactions: Current knowledge

Wenqing Xu, Mark L. Segall, Zhao Li

Frontiers of Environmental Science & Engineering 2020, Volume 14, Issue 5, doi: 10.1007/s11783-020-1265-6

Abstract: Abstract • Pyrogenic Carbonaceous Matter (PCM) promote both chemical and microbial synergies. • DiscussionIn this account, we reviewed the recently discovered reactivity of PCM in promoting both chemical and

Keywords: pyrogenic carbonaceous matter     Conjugated microporous polymer     remediation     Biochar     Hydrolysis     Pollutant degradation    

Review of plasma-assisted reactions and potential applications for modification of metal–organic frameworks

Tingting Zhao, Niamat Ullah, Yajun Hui, Zhenhua Li

Frontiers of Chemical Science and Engineering 2019, Volume 13, Issue 3,   Pages 444-457 doi: 10.1007/s11705-019-1811-6

Abstract: Some thermodynamically unfavorable reactions can easily occur with plasma assistance.In this review, we summarize the plasma-assisted reactions involved in dry reforming of methane, CO

Keywords: plasma catalysis     methane     carbon dioxide     VOCs     metal–organic frameworks    

Easy access to pharmaceutically relevant heterocycles by catalytic reactions involving

Ximei Zhao, Matthias Rudolph, Abdullah M. Asiri, A. Stephen K. Hashmi

Frontiers of Chemical Science and Engineering 2020, Volume 14, Issue 3,   Pages 317-349 doi: 10.1007/s11705-019-1874-4

Abstract: This review summarizes recent advances in the field of gold-catalyzed synthesis of pharmaceutically relevant aza-heterocycles via generated -imino gold carbene complexes as intermediates.

Keywords: gold     heterocycles     alkynes    

Catalyst particle shapes and pore structure engineering for hydrodesulfurization and hydrodenitrogenation reactions

Frontiers of Chemical Science and Engineering 2022, Volume 16, Issue 6,   Pages 897-908 doi: 10.1007/s11705-021-2127-x

Abstract: Catalyst particle shapes and pore structure engineering are crucial for alleviating internal diffusion limitations in the hydrodesulfurization (HDS)/hydrodenitrogenation (HDN) of gas oil. The effects of catalyst particle shapes (sphere, cylinder, trilobe, and tetralobe) and pore structures (pore diameter and porosity) on HDS/HDN performance at the particle scale are investigated via mathematical modeling. The relationship between particle shape and effectiveness factor is first established, and the specific surface areas of different catalyst particles show a positive correlation with the average HDS/HDN reaction rates. The catalyst particle shapes primarily alter the average HDS/HDN reaction rate to adjust the HDS/HDN effectiveness factor. An optimal average HDS/HDN reaction rate exists as the catalyst pore diameter and porosity increase, and this optimum value indicates a tradeoff between diffusion and reaction. In contrast to catalyst particle shapes, the catalyst pore diameter and the porosity of catalyst particles primarily alter the surface HDS/HDN reaction rate to adjust the HDS/HDN effectiveness factor. This study provides insights into the engineering of catalyst particle shapes and pore structures for improving HDS/HDN catalyst particle efficiency.

Keywords: hydrodesulfurization     hydrodenitrogenation     particle shape     pore structure    

Kinetics and mechanisms of reactions for hydrated electron with chlorinated benzenes in aqueous solution

Haixia YUAN,Huxiang PAN,Jin SHI,Hongjing LI,Wenbo DONG

Frontiers of Environmental Science & Engineering 2015, Volume 9, Issue 4,   Pages 583-590 doi: 10.1007/s11783-014-0691-8

Abstract: The reactions between chlorinated benzenes (CBzs) and hydrated electron ( ) were investigated by theThe kinetics of the reactions was achieved with nanosecond LFP.

Keywords: chlorinated benzenes     hydrated electron     electron beam     laser flash photolysis    

Hydroxyl radical-involved cancer therapy via Fenton reactions

Frontiers of Chemical Science and Engineering 2022, Volume 16, Issue 3,   Pages 345-363 doi: 10.1007/s11705-021-2077-3

Abstract: The tumor microenvironment features over-expressed hydrogen peroxide (H2O2). Thus, versatile therapeutic strategies based on H2O2 as a reaction substrate to generate hydroxyl radical (•OH) have been used as a prospective therapeutic method to boost anticancer efficiency. However, the limited Fenton catalysts and insufficient endogenous H2O2 content in tumor sites greatly hinder •OH production, failing to achieve the desired therapeutic effect. Therefore, supplying Fenton catalysts and elevating H2O2 levels into cancer cells are effective strategies to improve •OH generation. These therapeutic strategies are systematically discussed in this review. Furthermore, the challenges and future developments of hydroxyl radical-involved cancer therapy are discussed to improve therapeutic efficacy.

Keywords: hydroxyl radical     Fenton catalyst     hydrogen peroxide     cancer therapy    

Special issue on “Green chemical process and intensification”

Frontiers of Chemical Science and Engineering 2022, Volume 16, Issue 11,   Pages 1533-1535 doi: 10.1007/s11705-022-2263-y

Special Issue for the Future Chemical Engineering Scholars of Global Chinese Chemical Engineering Symposium

Frontiers of Chemical Science and Engineering 2022, Volume 16, Issue 6,   Pages 775-776 doi: 10.1007/s11705-022-2172-0

Insight of chemical environmental risk and its management from the vinyl chloride accident

Frontiers of Environmental Science & Engineering 2023, Volume 17, Issue 4, doi: 10.1007/s11783-023-1652-x

Abstract: Finally, this accident suggests that further efforts should be taken to bridge the gap between chemical

Keywords: Vinyl chloride     Combustion     Chemical safety management     Environmental risk     Emerging contaminants    

Title Author Date Type Operation

Numerical simulation and experimental verification of chemical reactions for SCR DeNO

Qiang ZHANG, Yonglin FAN, Wenyan LI

Journal Article

Chemical reactions of oily sludge catalyzed by iron oxide under supercritical water gasification condition

Journal Article

Sustainable functionalization and modification of materials via multicomponent reactions in water

Journal Article

Redox reactions of iron and manganese oxides in complex systems

Jianzhi Huang, Huichun Zhang

Journal Article

Kinetic Monte Carlo simulations of plasma-surface reactions on heterogeneous surfaces

Daniil Marinov

Journal Article

Solar fuel from photo-thermal catalytic reactions with spectrum-selectivity: a review

Sanli TANG, Jie SUN, Hui HONG, Qibin LIU

Journal Article

Reactivity of Pyrogenic Carbonaceous Matter (PCM) in mediating environmental reactions: Current knowledge

Wenqing Xu, Mark L. Segall, Zhao Li

Journal Article

Review of plasma-assisted reactions and potential applications for modification of metal–organic frameworks

Tingting Zhao, Niamat Ullah, Yajun Hui, Zhenhua Li

Journal Article

Easy access to pharmaceutically relevant heterocycles by catalytic reactions involving

Ximei Zhao, Matthias Rudolph, Abdullah M. Asiri, A. Stephen K. Hashmi

Journal Article

Catalyst particle shapes and pore structure engineering for hydrodesulfurization and hydrodenitrogenation reactions

Journal Article

Kinetics and mechanisms of reactions for hydrated electron with chlorinated benzenes in aqueous solution

Haixia YUAN,Huxiang PAN,Jin SHI,Hongjing LI,Wenbo DONG

Journal Article

Hydroxyl radical-involved cancer therapy via Fenton reactions

Journal Article

Special issue on “Green chemical process and intensification”

Journal Article

Special Issue for the Future Chemical Engineering Scholars of Global Chinese Chemical Engineering Symposium

Journal Article

Insight of chemical environmental risk and its management from the vinyl chloride accident

Journal Article