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Integration of molecular dynamic simulation and free volume theory for modeling membrane VOC/gas separation

Bo Chen, Yan Dai, Xuehua Ruan, Yuan Xi, Gaohong He

Frontiers of Chemical Science and Engineering 2018, Volume 12, Issue 2,   Pages 296-305 doi: 10.1007/s11705-018-1701-3

Abstract: membrane separation process for volatile organic compounds by combining the MD simulation with the freevolume theory.simulation and pure gas permeation data are employed to correlate pressure-irrelevant parameters for the freevolume theory; by this approach, the microscopic effects can be directly linked to bulk properties (

Keywords： membrane vapor separation     membrane process modeling     process engineering     free volume theory     volatile organic    

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Recovery of free volume in PIM-1 membranes through alcohol vapor treatment

Faiz Almansour, Monica Alberto, Rupesh S. Bhavsar, Xiaolei Fan, Peter M. Budd, Patricia Gorgojo

Frontiers of Chemical Science and Engineering 2021, Volume 15, Issue 4,   Pages 872-881 doi: 10.1007/s11705-020-2001-2

Abstract: Physical aging is currently a major obstacle for the commercialization of PIM-1 membranes for gas separation applications. A well-known approach to reversing physical aging effects of PIM-1 membranes at laboratory scale is soaking them in lower alcohols, such as methanol and ethanol. However, this procedure does not seem applicable at industrial level, and other strategies must be investigated. In this work, a regeneration method with alcohol vapors (ethanol or methanol) was developed to recover permeability of aged PIM-1 membranes, in comparison with the conventional soaking-in-liquid approach. The gas permeability and separation performance, before and post the regeneration methods, were assessed using a binary mixture of CO and CH (1:1, v:v). Our results show that an 8-hour methanol vapor treatment was sufficient to recover the original gas permeability, reaching a CO permeability>7000 barrer.

Keywords： polymer of intrinsic microporosity (PIM)     PIM-1     physical aging     gas separation     vapor-phase regeneration    

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Molecular dynamics study of water diffusion in an amphiphilic block copolymer with large difference in the blocks’ glass transition temperatures

Yang Zhou, Phillip Choi

Frontiers of Chemical Science and Engineering 2017, Volume 11, Issue 3,   Pages 440-447 doi: 10.1007/s11705-017-1626-2

Abstract: ., following the free volume model of Fujita).It suggested that water diffusion in PU- -PNIPAm depends only on its fractional free volume despite thefree volume inhomogeneity.

Keywords： molecular dynamics simulation     amphiphilic block copolymer     free volume     water diffusivity     fujita model    

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Insights into the Organotemplate-Free Synthesis of Zeolite Catalysts

Yeqing Wang,Qinming Wu,Xiangju Meng,Feng-Shou Xiao

Engineering 2017, Volume 3, Issue 4,   Pages 567-574 doi: 10.1016/J.ENG.2017.03.029

Abstract: briefly summarizes the role of organic templates and describes designed routes for the organotemplate-freeFurthermore, this review explicates that the micropore volume decreases with an increase of the Si/Alratios in the organotemplate-free synthesis of zeolite products, where Na+ exists as an alkaliin directing the synthesis of zeolite catalysts with controllable Si/Al ratios under organotemplate-free

Keywords： Zeolite seed-directed synthesis     Organotemplate-free synthesis     Zeolite seeds solution     Si/Al ratios     Zeolitemicropore volume    

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Assessment of liver volume variation to evaluate liver function

Cong Tong, Xinsen Xu, Chang Liu, Tianzheng Zhang, Kai Qu

Frontiers of Medicine 2012, Volume 6, Issue 4,   Pages 421-427 doi: 10.1007/s11684-012-0223-5

Abstract: volumetry in cirrhosis and acute liver failure (ALF) patients, we explored the correlation between hepatic volumeto get a regression formula for standard liver volume (SLV) and BSA.It turned out that the mean liver volume of the control group was 1 058±337 cm3.The hepatic volume of cirrhosis patients in Child A, B level was not reduced, but in Child C level itwas significantly reduced with the lowest liver volume index (CTLV/SLV).

Keywords： liver volume variation     cirrhosis     acute liver failure (ALF)    

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ultrafiltration membrane fouling behavior under different pH conditions: interface adhesion force and XDLVO theory

Xudong WANG,Miao ZHOU,Xiaorong MENG,Lei WANG,Danxi HUANG

Frontiers of Environmental Science & Engineering 2016, Volume 10, Issue 4, doi: 10.1007/s11783-016-0855-9

Abstract: XDLVO theory shows the polar or Lewis acid–base interaction plays a major role in membrane fouling.The extended Derjaguin–Landau–Verwey–Overbeek (XDLVO) theory predicts that the polar or Lewis acid–base(AB) interaction played a dominant role in the interfacial free energy of membrane–BSA and BSA–BSA thatsolution can have a significant impact on the process of membrane fouling by changing the AB component of free

Keywords： PVDF membrane     Membrane fouling     Adhesion force     Protein     Interfacial free energy    

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Dynamics simulation of bottom high-sediment sea water movement under waves

Xueyi YOU , Wei LIU , Houpeng XIAO ,

Frontiers of Structural and Civil Engineering 2009, Volume 3, Issue 3,   Pages 312-315 doi: 10.1007/s11709-009-0037-y

Abstract: Supposing that the high-sediment sea water is a Newtonian fluid, based on Navier-Stokes (N-S) theory,the movement of the interfaces of air-water and water-sediment water was tracked by the volume of fluid

Keywords： volume of fluid (VOF) method     high sediment sea water     numerical simulation     interface trace     Navier-Stokes(N-S) theory    

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Destructive and non-destructive evaluation of concrete for optimum sand to aggregate volume ratio

Frontiers of Structural and Civil Engineering 2021, Volume 15, Issue 6,   Pages 1400-1414 doi: 10.1007/s11709-021-0779-8

Abstract: Aggregates are the biggest contributor to concrete volume and are a crucial parameter in dictating its, a detailed experimental investigation was carried out to evaluate the effect of sand-to-aggregate volume

Keywords： aggregates     non-destructive testing     sand-to-aggregate volume ratio (s/a)     maximum aggregate    

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Free vibration analysis of laminated FG-CNT reinforced composite beams using finite element method

T. VO-DUY, V. HO-HUU, T. NGUYEN-THOI

Frontiers of Structural and Civil Engineering 2019, Volume 13, Issue 2,   Pages 324-336 doi: 10.1007/s11709-018-0466-6

Abstract: In the present study, the free vibration of laminated functionally graded carbon nanotube reinforcedThe first-order shear deformation theory is used to formulate a governing equation for predicting freeSeveral numerical tests are performed to investigate the influence of the CNTs volume fractions, CNTs

Keywords： free vibration analysis     laminated FG-CNTRC beam     finite element method     first-order shear deformation theory    

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Static and dynamic analysis of functionally graded fluid-infiltrated porous skew and elliptical nanoplates using an isogeometric approach

Frontiers of Structural and Civil Engineering 2023, Volume 17, Issue 3,   Pages 477-502 doi: 10.1007/s11709-023-0918-5

Abstract: The analysis of static bending and free and forced vibration responses of functionally graded fluid-infiltratedThe stress–strain relationship for Biot porous materials was determined using the elastic theory.equations of motion of the nanoplates were established using the four-unknown shear deformation plate theoryin conjunction with the nonlocal elastic theory and Hamilton’s principle.This set of programs presents the influence of the following parameters on the static bending and free

Keywords： static bending     free and forced vibrations     nonlocal theory     isogeometric analysis     fluid-infiltrated    

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Cell-free systems in the new age of synthetic biology

Fernando Villarreal,Cheemeng Tan

Frontiers of Chemical Science and Engineering 2017, Volume 11, Issue 1,   Pages 58-65 doi: 10.1007/s11705-017-1610-x

Abstract: The advent of synthetic biology has ushered in new applications of cell-free transcription-translationThese cell-free systems are reconstituted using cellular proteins, and are amenable to modular controlHere, we discuss the historical advancement of cell-free systems, as well as their new applications inFinally, we present our vision on the future direction of cell-free synthetic biology.

Keywords： cell-free system     application    

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V-shaped substrate for surface and volume enhanced Raman spectroscopic analysis of microplastics

Frontiers of Environmental Science & Engineering 2022, Volume 16, Issue 11, doi: 10.1007/s11783-022-1578-8

Abstract:

● V-shaped substrate was obtained for SERS analysis of microplastics (diameter ≈ 1 μm).

Keywords： SERS     V-shaped     AAO     Microplastic     Atmospheric aerosol    

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Modeling limit force capacities of high force to volume lead extrusion dampers

Frontiers of Structural and Civil Engineering 2021, Volume 15, Issue 3,   Pages 609-622 doi: 10.1007/s11709-021-0724-x

Abstract: Small volumetric sizes and high force capacities define high-force-to-volume (HF2V) devices, which can

Keywords： extrusion     lead dampers     upper and lower bound     analytical modelling     limit force    

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Lamellar thickness transition of melt-crystallized polybuten-1 tetragonal phase: configurational change in chain folding directions

Motoi YAMASHITA

Frontiers of Chemical Science and Engineering 2009, Volume 3, Issue 1,   Pages 26-32 doi: 10.1007/s11705-009-0002-2

Abstract: Each of the two dependences obeys the nucleation theory in the high and low supercooling ranges, respectivelyChain folding free energy determined from the low supercooling range is larger than that determined

Keywords： tetragonal phase     crystal thickness     melt growth     chain folding     small angle X-ray scattering     nucleation theory     end surface free energy    

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Recent advances in cycloaddition of CO with epoxides: halogen-free catalysis and mechanistic insights

Frontiers of Chemical Science and Engineering 2023, Volume 17, Issue 12,   Pages 1879-1894 doi: 10.1007/s11705-023-2354-4

Abstract: To address these concerns, the halogen-free cycloaddition of CO2 with epoxides has alwaysIn this review, we systematically discussed the halogen-free catalysis for cycloaddition of CO2freeSpecially, metal oxides as the potential halogen-free catalysts are highlighted due to their flexible

Keywords： carbon dioxide     halogen-free catalysis     cyclic carbonate     mechanistic insight    

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Title Author Date Type Operation

Integration of molecular dynamic simulation and free volume theory for modeling membrane VOC/gas separation

Bo Chen, Yan Dai, Xuehua Ruan, Yuan Xi, Gaohong He

Journal Article

Recovery of free volume in PIM-1 membranes through alcohol vapor treatment

Faiz Almansour, Monica Alberto, Rupesh S. Bhavsar, Xiaolei Fan, Peter M. Budd, Patricia Gorgojo

Journal Article

Molecular dynamics study of water diffusion in an amphiphilic block copolymer with large difference in the blocks’ glass transition temperatures

Yang Zhou, Phillip Choi

Journal Article

Insights into the Organotemplate-Free Synthesis of Zeolite Catalysts

Yeqing Wang,Qinming Wu,Xiangju Meng,Feng-Shou Xiao

Journal Article

Assessment of liver volume variation to evaluate liver function

Cong Tong, Xinsen Xu, Chang Liu, Tianzheng Zhang, Kai Qu

Journal Article

ultrafiltration membrane fouling behavior under different pH conditions: interface adhesion force and XDLVO theory

Xudong WANG,Miao ZHOU,Xiaorong MENG,Lei WANG,Danxi HUANG

Journal Article

Dynamics simulation of bottom high-sediment sea water movement under waves

Xueyi YOU , Wei LIU , Houpeng XIAO ,

Journal Article

Destructive and non-destructive evaluation of concrete for optimum sand to aggregate volume ratio

Journal Article

Free vibration analysis of laminated FG-CNT reinforced composite beams using finite element method

T. VO-DUY, V. HO-HUU, T. NGUYEN-THOI

Journal Article

Static and dynamic analysis of functionally graded fluid-infiltrated porous skew and elliptical nanoplates using an isogeometric approach

Journal Article

Cell-free systems in the new age of synthetic biology

Fernando Villarreal,Cheemeng Tan

Journal Article

V-shaped substrate for surface and volume enhanced Raman spectroscopic analysis of microplastics

Journal Article

Modeling limit force capacities of high force to volume lead extrusion dampers

Journal Article

Lamellar thickness transition of melt-crystallized polybuten-1 tetragonal phase: configurational change in chain folding directions

Motoi YAMASHITA

Journal Article

Recent advances in cycloaddition of CO with epoxides: halogen-free catalysis and mechanistic insights

Journal Article