Resource Type

Journal Article 309

Year

2023 20

2022 16

2021 13

2020 17

2019 14

2018 12

2017 11

2016 4

2015 4

2014 9

2013 11

2012 12

2011 17

2010 26

2009 27

2008 30

2007 29

2006 8

2005 2

2004 7

open ︾

Keywords

numerical simulation 70

numerical analysis 19

numerical modeling 12

simulation 9

Numerical simulation 8

numerical 7

bearing capacity 5

finite element method 4

numerical model 4

CFD 3

CFD simulation 2

DFT calculations 2

DX pile 2

Monte Carlo method 2

Numerical 2

Numerical modeling 2

calculation 2

calibration 2

combustion 2

open ︾

Search scope:

排序： Display mode:

Large-scale model test study on the water pressure resistance of construction joints of karst tunnel linings

Frontiers of Structural and Civil Engineering   Pages 1249-1263 doi: 10.1007/s11709-023-0974-x

Abstract: Model tests and numerical calculations were adopted based on the New Yuanliangshan tunnel project toresistance of the construction joint were analyzed, and the reliability of the model test was verified via numericalcalculations.The water pressure resistance of the construction joint determined via numerical calculations is similar

Keywords： karst tunnel     lining construction joint     water pressure resistance     large-scale model test     numericalcalculations    

HTML PDF Collect

Performance and mechanism of carbamazepine removal by FeS-SO process: experimental investigation and DFT calculations

Frontiers of Environmental Science & Engineering 2023, Volume 17, Issue 9, doi: 10.1007/s11783-023-1713-1

Abstract:

● Synergistic removal of carbamazepine (CBZ) was obtained in the FeS-S2O82– process.

Keywords： FeS     S2O82–     Carbamazepine     DFT calculations     Degradation routes    

HTML PDF Collect

Mass and heat balance calculations and economic evaluation of an innovative biomass pyrolysis project

Quanyuan WEI, Yongshui QU, Tianwei TAN

Frontiers of Chemical Science and Engineering 2011, Volume 5, Issue 3,   Pages 355-361 doi: 10.1007/s11705-010-0567-9

Abstract: Biomass can be converted into flammable gas, charcoal, wood vinegar, wood tar oil and noncombustible materials with thermo-chemical pyrolysis reactions. Many factors influence these processes, such as the properties of the raw materials, and temperature control and these will affect the products that are produced. Based on the data from a straw pyrolysis demonstration project, the mass and heat balance of the biomass pyrolysis process were analyzed. The statistical product and service solutions (SPSS) statistical method was used to analyze the data which were monitored on-site. A cost-benefit analysis was then used to study the viability of commercializing the project. The analysis included net present value, internal rate of return and investment payback period. These results showed that the straw pyrolysis project has little risk, and will produce remarkable economic benefits.

Keywords： mass balance     heat balance     biomass pyrolysis     economic benefit    

HTML PDF Collect

Predictive calculations of gas solubility and permeability in glassy polymeric membranes: An overview

Matteo Minelli, Maria Grazia De Angelis, Giulio C. Sarti

Frontiers of Chemical Science and Engineering 2017, Volume 11, Issue 3,   Pages 405-413 doi: 10.1007/s11705-017-1615-5

Abstract: what are the relevant physical properties of the polymer matrix and of the penetrants required by the calculationsThe procedure followed for permeability calculations leads also to clear correlations between permeabilityand physical properties of both polymer and penetrant, based on which pure predictive calculations are

Keywords： solubility     permeability     glassy polymers     NELF model     diffusion    

HTML PDF Collect

Characterization of random stress fields obtained from polycrystalline aggregate calculations using multi-scale

Bruno SUDRET,Hung Xuan DANG,Marc BERVEILLER,Asmahana ZEGHADI,Thierry YALAMAS

Frontiers of Structural and Civil Engineering 2015, Volume 9, Issue 2,   Pages 121-140 doi: 10.1007/s11709-015-0290-1

Abstract: The spatial variability of stress fields resulting from polycrystalline aggregate calculations involvingBased on a set of finite element polycrystalline aggregate calculations the properties of the maximal

Keywords： polycrystalline aggregates     crystal plasticity     random fields     spatial variability     correlation structure    

HTML PDF Collect

Ammonia adsorption on graphene and graphene oxide: a first-principles study

Yue PENG, Junhua LI

Frontiers of Environmental Science & Engineering 2013, Volume 7, Issue 3,   Pages 403-411 doi: 10.1007/s11783-013-0491-6

Abstract: Motivated by the recent realization of graphene sensor to detect gas molecules that are harmful to the environment, the ammonia adsorption on graphene or graphene oxide (GO) was investigated using first-principles calculation. The optimal adsorption and orientation of the NH molecules on the graphene surfaces were determined, and the adsorption energies ( ) as well as the Mulliken charge transfers of NH were calculated. The for the graphene are small and seem to be independent of the sites and orientations. The surface epoxy or hydroxyl groups can promote the adsorption of NH on the GO; the enhancement of the for the hydroxyl groups is greater than that for the epoxy groups on the surface. The charge transfers from the molecule to the surfaces also exhibit the same trend. The Br?nsted acid sites and Lewis acid sites could stably exist on the GO with surface hydroxyl groups and on the basal, respectively.

Keywords： graphene oxide     first-principles calculations     NH3 adsorption    

HTML PDF Collect

New insights into mercury removal mechanism on CeO

Ling Li, Yu He, Xia Lu

Frontiers of Environmental Science & Engineering 2018, Volume 12, Issue 2, doi: 10.1007/s11783-018-1007-1

Abstract: First-principles calculations were performed to investigate the mechanism of Hg adsorption and oxidation

Keywords： Elemental mercury removal     Surface adsorption     Ceria     First-principles calculations    

HTML PDF Collect

Regulation of radicals by hydrogen-donor solvent in direct coal liquefaction

Frontiers of Chemical Science and Engineering 2022, Volume 16, Issue 12,   Pages 1689-1699 doi: 10.1007/s11705-022-2186-7

Abstract: different radicals on the cleavage of chemical bond were investigated employing density functional theory calculations

Keywords： liquefaction     hydrogen-donor solvent     induced pyrolysis     radical mechanism     density functional theory calculations    

HTML PDF Collect

Theoretical insights into influence of additives on sulfamethoxazole crystal growth kinetics and mechanisms

Frontiers of Chemical Science and Engineering 2023, Volume 17, Issue 10,   Pages 1503-1515 doi: 10.1007/s11705-022-2294-4

Abstract: SMX) crystal growth kinetics was systematically investigated through density functional theory (DFT) calculationsIn addition, DFT calculations results showed that HPMC and PVP could form strong and stable binding energies

Keywords： insoluble drugs     polymer     inhibition crystallization     crystal growth kinetics     DFT calculations    

HTML PDF Collect

Calculations of narrow-band transimissities and the Planck mean absorption coefficients of real gases

Huaqiang CHU, Mingyan GU, Huaichun ZHOU, Fengshan LIU

Frontiers in Energy 2014, Volume 8, Issue 1,   Pages 41-48 doi: 10.1007/s11708-013-0292-4

Abstract: Calculations of narrow-band transmissivity were conducted for gas columns of different lengths and containing

Keywords： transimissity     HITEMP     HITRAN     Planck mean absorption coefficients    

HTML PDF Collect

GIS-based numerical simulation of Amamioshima debris flow in Japan

Jian WU, Guangqi CHEN, Lu ZHENG, Yingbin ZHANG

Frontiers of Structural and Civil Engineering 2013, Volume 7, Issue 2,   Pages 206-214 doi: 10.1007/s11709-013-0198-6

Abstract: Finally, the numerical model coupled with GIS is applied to simulate the debris flow occurred on Oct.

Keywords： debris flow     numerical simulation     GIS     movement     erosion     deposition    

HTML PDF Collect

Experimental and numerical study on microcrack detection using contact nonlinear acoustics

Xiaojia CHEN, Yuanlin WANG

Frontiers of Structural and Civil Engineering 2009, Volume 3, Issue 2,   Pages 137-141 doi: 10.1007/s11709-009-0028-z

Abstract: The paper’s main work concentrates on the experimental and numerical verification of the effectivityBoth experiments and numerical tests are performed.The numerical test illustrates the decline of when microcracks penetrate each other.

Keywords： microcrack detection     contact nonlinearity     numerical analysis    

HTML PDF Collect

An investigation on prevalent strategies for XFEM-based numerical modeling of crack growth in porous

Frontiers of Structural and Civil Engineering 2021, Volume 15, Issue 4,   Pages 914-936 doi: 10.1007/s11709-021-0750-8

Abstract: Among all numerical methods, the extended finite element method (XFEM) has recently attracted much attention

Keywords： numerical modeling     extended finite element method     porous media     crack growth     stress intensity factor    

HTML PDF Collect

Simulation of viscoelastic behavior of defected rock by using numerical manifold method

Feng REN, Lifeng FAN, Guowei MA

Frontiers of Structural and Civil Engineering 2011, Volume 5, Issue 2,   Pages 199-207 doi: 10.1007/s11709-011-0102-1

Abstract: Numerical simulations of longitudinal wave propagation in a rock bar with microcracks are conducted byusing the numerical manifold method which has great advantages in the simulation of discontinuities.Firstly, validation of the numerical manifold method is carried out by simulations of a longitudinal

Keywords： stress wave propagation     defected rock     numerical manifold method     viscoelastic behavior     storage modulus    

HTML PDF Collect

Numerical modeling and performance evaluation of passive convergence-permeable reactive barrier (PC-PRB

Frontiers of Environmental Science & Engineering 2023, Volume 17, Issue 11, doi: 10.1007/s11783-023-1731-z

Abstract:

● A 2D finite-element solute transport model, PRB-Trans, is developed.

Keywords： Passive convergence-permeable reactive barrier     Numerical modeling     Hydraulic behavior assessment     Pollutant    

HTML PDF Collect

Title Author Date Type Operation

Large-scale model test study on the water pressure resistance of construction joints of karst tunnel linings

Journal Article

Performance and mechanism of carbamazepine removal by FeS-SO process: experimental investigation and DFT calculations

Journal Article

Mass and heat balance calculations and economic evaluation of an innovative biomass pyrolysis project

Quanyuan WEI, Yongshui QU, Tianwei TAN

Journal Article

Predictive calculations of gas solubility and permeability in glassy polymeric membranes: An overview

Matteo Minelli, Maria Grazia De Angelis, Giulio C. Sarti

Journal Article

Characterization of random stress fields obtained from polycrystalline aggregate calculations using multi-scale

Bruno SUDRET,Hung Xuan DANG,Marc BERVEILLER,Asmahana ZEGHADI,Thierry YALAMAS

Journal Article

Ammonia adsorption on graphene and graphene oxide: a first-principles study

Yue PENG, Junhua LI

Journal Article

New insights into mercury removal mechanism on CeO

Ling Li, Yu He, Xia Lu

Journal Article

Regulation of radicals by hydrogen-donor solvent in direct coal liquefaction

Journal Article

Theoretical insights into influence of additives on sulfamethoxazole crystal growth kinetics and mechanisms

Journal Article

Calculations of narrow-band transimissities and the Planck mean absorption coefficients of real gases

Huaqiang CHU, Mingyan GU, Huaichun ZHOU, Fengshan LIU

Journal Article

GIS-based numerical simulation of Amamioshima debris flow in Japan

Jian WU, Guangqi CHEN, Lu ZHENG, Yingbin ZHANG

Journal Article

Experimental and numerical study on microcrack detection using contact nonlinear acoustics

Xiaojia CHEN, Yuanlin WANG

Journal Article

An investigation on prevalent strategies for XFEM-based numerical modeling of crack growth in porous

Journal Article

Simulation of viscoelastic behavior of defected rock by using numerical manifold method

Feng REN, Lifeng FAN, Guowei MA

Journal Article

Numerical modeling and performance evaluation of passive convergence-permeable reactive barrier (PC-PRB

Journal Article