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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: Considering their significant effects, systematic methods for the optimal selection and design of materialsDuring the past few decades, computational methods have been significantly developed and they now becomea very important tool for the optimal design of functional materials for various chemical processes.Theoretical methods and representative works for computational screening and design of these materials

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

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Computational design of structured chemical products

Faheem Mushtaq, Xiang Zhang, Ka Y. Fung, Ka M. Ng

Frontiers of Chemical Science and Engineering 2021, Volume 15, Issue 5,   Pages 1033-1049 doi: 10.1007/s11705-020-2002-1

Abstract: In chemical product design, the aim is to formulate a product with desired performance.Recently, computational methods have emerged that assist systematic microstructure quantification andThe objective of this paper is to review these computational methods and to show how these methods as, structure, and manufacturing process framework for the design of structured chemical products.The framework is illustrated with the design of nanodielectric and die attach adhesive products.

Keywords： product design     performance     ingredients     structure     manufacturing process framework     structured chemicalproducts     microstructure design    

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Applications of traditional pump design theory to artificial heart and CFD simulation

WANG Yingpeng, SONG Xinwei, YING Chuntong

Frontiers in Energy 2008, Volume 2, Issue 4,   Pages 504-507 doi: 10.1007/s11708-008-0059-5

Abstract: A novel heart pump model was obtained by improving the traditional axial pump design theory with theMoreover, computational fluid dynamics (CFD) simulations were performed to determine relevant model parameters

Keywords： computational     high-efficiency artificial     iterative approach     artificial     traditional    

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Computational model generation and RVE design of self-healing concrete

Md. Shahriar QUAYUM,Xiaoying ZHUANG,Timon RABCZUK

Frontiers of Structural and Civil Engineering 2015, Volume 9, Issue 4,   Pages 383-396 doi: 10.1007/s11709-015-0320-z

Abstract: Computational homogenization is a versatile tool that can extract effective properties of heterogeneousComputational homogenization tool is applied in this paper to evaluate the effective properties of self-healingThis paper presents a technique for RVE design of SHC and shows the influence of volume fractions of

Keywords： homogenization     self-healing concrete (SHC)     representative volume element     multiscale modelling    

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Centrifugal compressor blade optimization based on uniform design and genetic algorithms

SHU Xinwei, GU Chuangang, XIAO Jun, GAO Chuang

Frontiers in Energy 2008, Volume 2, Issue 4,   Pages 453-456 doi: 10.1007/s11708-008-0083-5

Abstract: An optimization approach to centrifugal compressor blade design, incorporating uniform design method(UDM), computational fluid dynamics (CFD) analysis technique, regression analysis method and geneticisentropic efficiency as objective function, this optimization approach has been applied to the optimum design

Keywords： information     computational     centrifugal compressor     regression analysis     CFD    

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The smoothed finite element method (S-FEM): A framework for the design of numerical models for desired

Gui-Rong Liu

Frontiers of Structural and Civil Engineering 2019, Volume 13, Issue 2,   Pages 456-477 doi: 10.1007/s11709-019-0519-5

Abstract: Most importantly, one can now purposely design an S-FEM model to obtain solutions with special propertiesas wish, meaning that S-FEM offers a framework for design numerical models with desired properties.

Keywords： computational method     finite element method     smoothed finite element method     strain smoothing technique    

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Challenges of high dam construction to computational mechanics

ZHANG Chuhan

Frontiers of Structural and Civil Engineering 2007, Volume 1, Issue 1,   Pages 12-33 doi: 10.1007/s11709-007-0002-6

Abstract: large dams and hydro-power plants, especially those associated with application of state-of-the-art computationalSome examples demonstrating successful utilizations of computational mechanics in high dam engineeringTo make more use of the computational mechanics in high dam engineering, it is pointed out that muchresearch including different computational methods, numerical models and solution schemes, and verifications

Keywords： reservoir     engineering     hydro-power development     state-of-the-art computational     earthquake    

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Design and analysis of a new high frequency double-servo direct drive rotary valve

Muzhi ZHU,Shengdun ZHAO,Jingxiang LI

Frontiers of Mechanical Engineering 2016, Volume 11, Issue 4,   Pages 344-350 doi: 10.1007/s11465-016-0406-x

Abstract: In addition, a computational fluid dynamics (CFD) method based on Fluent was conducted to verify the

Keywords： direct drive rotary valve     computational fluid dynamics (CFD)     flow regulation    

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Particle swarm optimization model to predict scour depth around a bridge pier

Shahaboddin SHAMSHIRBAND, Amir MOSAVI, Timon RABCZUK

Frontiers of Structural and Civil Engineering 2020, Volume 14, Issue 4,   Pages 855-866 doi: 10.1007/s11709-020-0619-2

Abstract: Scour depth around bridge piers plays a vital role in the safety and stability of the bridges. The former approaches used in the prediction of scour depth are based on regression models or black box models in which the first one lacks enough accuracy while the later one does not provide a clear mathematical expression to easily employ it for other situations or cases. Therefore, this paper aims to develop new equations using particle swarm optimization as a metaheuristic approach to predict scour depth around bridge piers. To improve the efficiency of the proposed model, individual equations are derived for laboratory and field data. Moreover, sensitivity analysis is conducted to achieve the most effective parameters in the estimation of scour depth for both experimental and filed data sets. Comparing the results of the proposed model with those of existing regression-based equations reveal the superiority of the proposed method in terms of accuracy and uncertainty. Moreover, the ratio of pier width to flow depth and ratio of 50 (mean particle diameter) to flow depth for the laboratory and field data were recognized as the most effective parameters, respectively. The derived equations can be used as a suitable proxy to estimate scour depth in both experimental and prototype scales.

Keywords： scour depth     bridge design and construction     particle swarm optimization     computational mechanics     artificial    

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Investigation of carbon dioxide photoreduction process in a laboratory-scale photoreactor by computational

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

Abstract: The novelty of this work is the computational fluid dynamic model combined with the novel carbon dioxide

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

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AMMONIA DISPERSION FROM MULTI-FLOOR VERSUS STANDARD SINGLE-FLOOR PIG PRODUCTION FACILITIES BASED ON COMPUTATIONAL

Frontiers of Agricultural Science and Engineering 2023, Volume 10, Issue 3,   Pages 374-389 doi: 10.15302/J-FASE-2023501

Abstract:

● NH3 dispersion from a multi-floor pig building was compared to a single-floor building.

Keywords： pig building     computational fluid dynamics     ammonia     dispersion    

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Computational fluid dynamics simulation of aerosol transport and deposition

Yingjie TANG, Bing GUO

Frontiers of Environmental Science & Engineering 2011, Volume 5, Issue 3,   Pages 362-377 doi: 10.1007/s11783-011-0365-8

Abstract: In this article computational fluid dynamics (CFD) simulation of aerosol transport and deposition, i.eobtain through physical experiments, and it may help reduce the number of experiments needed for device design

Keywords： computational fluid dynamics (CFD)     aerosol     transport     deposition    

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Introduction to the special section on the Symposium on Computational Fluid Dynamics and Molecular Simulation

Tianwei TAN, Peiyong QIN,

Frontiers of Chemical Science and Engineering 2010, Volume 4, Issue 3,   Pages 241-241 doi: 10.1007/s11705-009-0285-3

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Computational studies on the seismic response of the State Route 99 bridge in Seattle with SMA/ECC plastic

Jiping GE, M. Saiid SAIIDI, Sebastian VARELA

Frontiers of Structural and Civil Engineering 2019, Volume 13, Issue 1,   Pages 149-164 doi: 10.1007/s11709-018-0482-6

Abstract: This paper reports a computational study on the seismic response of a three-span highway bridge systemA three-dimensional computational model capturing the nonlinear constitutive response of the novel materials

Keywords： seismic design     analytical simulation     near-fault earthquakes     shape memory alloy     engineered cementitious    

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A time−space porosity computational model for concrete under sulfate attack

Frontiers of Structural and Civil Engineering doi: 10.1007/s11709-023-0985-7

Abstract: The deterioration of the microscopic pore structure of concrete under external sulfate attack (ESA) is a primary cause of degradation. Nevertheless, little effort has been invested in exploring the temporal and spatial development of the porosity of concrete under ESA. This study proposes a mechanical–chemical model to simulate the spatiotemporal distribution of the porosity. A relationship between the corrosion damage and amount of ettringite is proposed based on the theory of volume expansion. In addition, the expansion strain at the macro-scale is obtained using a stress analysis model of composite concentric sphere elements and the micromechanical mean-field approach. Finally, considering the influence of corrosion damage and cement hydration on the diffusion of sulfate ions, the expansion deformation and porosity space−time distribution are obtained using the finite difference method. The results demonstrate that the expansion strains calculated using the suggested model agree well with previously reported experimental results. Moreover, the tricalcium aluminate concentration, initial elastic modulus of cement paste, corrosion damage, and continuous hydration of cement significantly affect concrete under ESA. The proposed model can forecast and assess the porosity of concrete covers and provide a credible approach for determining the residual life of concrete structures under ESA.

Keywords： expansion deformation     porosity     internal expansion stress     external sulfate attack     mechanical–chemical coupling model    

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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

Computational design of structured chemical products

Faheem Mushtaq, Xiang Zhang, Ka Y. Fung, Ka M. Ng

Journal Article

Applications of traditional pump design theory to artificial heart and CFD simulation

WANG Yingpeng, SONG Xinwei, YING Chuntong

Journal Article

Computational model generation and RVE design of self-healing concrete

Md. Shahriar QUAYUM,Xiaoying ZHUANG,Timon RABCZUK

Journal Article

Centrifugal compressor blade optimization based on uniform design and genetic algorithms

SHU Xinwei, GU Chuangang, XIAO Jun, GAO Chuang

Journal Article

The smoothed finite element method (S-FEM): A framework for the design of numerical models for desired

Gui-Rong Liu

Journal Article

Challenges of high dam construction to computational mechanics

ZHANG Chuhan

Journal Article

Design and analysis of a new high frequency double-servo direct drive rotary valve

Muzhi ZHU,Shengdun ZHAO,Jingxiang LI

Journal Article

Particle swarm optimization model to predict scour depth around a bridge pier

Shahaboddin SHAMSHIRBAND, Amir MOSAVI, Timon RABCZUK

Journal Article

Investigation of carbon dioxide photoreduction process in a laboratory-scale photoreactor by computational

Journal Article

AMMONIA DISPERSION FROM MULTI-FLOOR VERSUS STANDARD SINGLE-FLOOR PIG PRODUCTION FACILITIES BASED ON COMPUTATIONAL

Journal Article

Computational fluid dynamics simulation of aerosol transport and deposition

Yingjie TANG, Bing GUO

Journal Article

Introduction to the special section on the Symposium on Computational Fluid Dynamics and Molecular Simulation

Tianwei TAN, Peiyong QIN,

Journal Article

Computational studies on the seismic response of the State Route 99 bridge in Seattle with SMA/ECC plastic

Jiping GE, M. Saiid SAIIDI, Sebastian VARELA

Journal Article

A time−space porosity computational model for concrete under sulfate attack

Journal Article