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Lattice model effects on the accuracy of the boundary condition implementations for the convection–diffusion lattice Boltzmann method

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Computers & Fluids 2018年 176卷 153-169页

作者： Liangqi Zhang Shiliang Yang Zhong Zeng Jia Wei Chew School of Chemical and Biomedical Engineering Nanyang Technological University Singapore 637459 Singapore Department of Engineering Mechanics College of Aerospace Engineering Chongqing University Chongqing 400044 PR China State Key Laboratory of Coal Mine Disaster Dynamics and Control Chongqing University Chongqing 400044 PR China Singapore Membrane Technology Center Nanyang Environment and Water Research Institute Nanyang Technological University Singapore 637141 Singapore

An alternative second-order boundary scheme for convection–diffusion lattice Boltzmann method was proposed in our recent work with advantages of locality and consistency for various boundary conditions. In this study, the boundary scheme, previously derived for the D2Q5 lattice model, is firstly extended to the D2Q9 model with more lattice directions, and then the accuracy of the boundary condition implementations based on different lattice models is compared based on various boundary conditions, namely, Dirichlet condition, Neumann condition and linear Robin condition. Conclusions are drawn from the numerical validations that: (i) for the Neumann condition and Robin condition at straight boundaries, the D2Q5 model is proved to be more accurate than the D2Q9 model, and the inaccurate treatments for the corner points by the D2Q9 model would further affect its accuracy for the scalar gradients distribution; (ii) for curved boundaries, the D2Q9 model is demonstrated to be more accurate than the D2Q5 model that has less lattice directions; and (iii) the second-order accuracy of the resulting macroscopic scalar distribution is preserved by both lattice models for all the numerical tests. Furthermore, a modified scheme for the Dirichlet condition treatments at straight boundaries is proposed for the D2Q5 lattice model, and leads to obvious accuracy improvements.

关键词： Lattice Boltzmann method Convection–diffusion equation Neumann condition Robin condition

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An alternative implementation of the kinetic theory based axisymmetric lattice Boltzmann model

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Computers & Mathematics with Applications 2018年第6期76卷 1388-1407页

The semi-implicit centered scheme, as an approximated implementation of the trapezium rule based scheme, has proved to be capable of avoiding the discrete lattice effects in our recent forcing scheme analysis for the axisymmetric LB method, and is applied here for an alternative implementation of the kinetic theory based axisymmetric model by Guo et al. In particular, the external force terms and the first-order part of the source terms accounting for the axisymmetric effect are discretized with the semi-implicit centered scheme, while the rest are represented with the trapezium rule. The proposed axisymmetric LB scheme has the advantage of simpler calculations of the macroscopic variables since the zeroth- and the first-order moments of the distribution function are independent of the complicated source terms. Chapman–Enskog analysis in the Appendix demonstrates that axisymmetric Navier–Stokes (N–S) equations are recovered from the proposed model, and the error terms caused by the semi-implicit centered scheme do not affect the overall accuracy of the present model. Moreover, the accuracy and applicability of the proposed axisymmetric LB model are verified by the adopted numerical tests, and the complicated macroscopic variables computations in the Guo et al. model and its derivative models are avoided by the present model.

关键词： Axisymmetric lattice Boltzmann method Kinetic theory based model Semi-implicit centered scheme

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Consistent boundary conditions of the multiple-relaxation-time lattice Boltzmann method for convection–diffusion equations

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Computers & Fluids 2018年 170卷 24-40页

In this work, the Dirichlet, Neumann and linear Robin conditions for the convection–diffusion equation (CDE) lattice Boltzmann (LB) method is investigated and a second-order boundary scheme is proposed for the D2Q9 multiple-relaxation-time (MRT) LB model. With the proposed scheme, consistent implementations are developed for the three kinds of macroscopic boundary constraints considered at both straight and curved boundaries. The second-order accuracy of the present boundary scheme is firstly demonstrated by the theoretical derivations and then confirmed by the numerical validations. Notably, the advantages of the present boundary scheme lie in its locality and consistency, i.e., no information from the neighboring fluid nodes is required in the practical treatments, and all three kinds of boundary conditions are directly implemented without degrading the Robin condition to the Dirichlet or Neumann condition.

关键词： Lattice Boltzmann method Multiple-relaxation-time Convection–diffusion equation Boundary scheme Neumann condition Robin condition

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Correction: The long and short non-coding RNAs modulating EZH2 signaling in cancer

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Journal of hematology & oncology 2022年第1期15卷 50页

作者： Sepideh Mirzaei Mohammad Hossein Gholami Kiavash Hushmandi Farid Hashemi Amirhossein Zabolian Israel Canadas Ali Zarrabi Noushin Nabavi Amir Reza Aref Francesco Crea Yuzhuo Wang Milad Ashrafizadeh Alan Prem Kumar Department of Biology Faculty of Science Islamic Azad University Science and Research Branch Tehran Iran. Faculty of Veterinary Medicine Kazerun Branch Islamic Azad University Kazerun Iran. Department of Food Hygiene and Quality Control Division of Epidemiology and Zoonoses Faculty of Veterinary Medicine University of Tehran Tehran Iran. Department of Comparative Biosciences Faculty of Veterinary Medicine University of Tehran Tehran *** Iran. Department of Orthopedics School of Medicine 5Th Azar Hospital Golestan University of Medical Sciences Gorgan Golestan Iran. Blood Cell Development and Function Program Fox Chase Cancer Center Philadelphia PA USA. Department of Biomedical Engineering Faculty of Engineering and Natural Sciences Istinye University Istanbul 34396 Turkey. Department of Urological Sciences and Vancouver Prostate Centre University of British Columbia Vancouver BC V6H3Z6 Canada. Belfer Center for Applied Cancer Science Dana-Farber Cancer Institute Harvard Medical School Boston MA USA. Department of Translational Sciences Xsphera Biosciences Inc. Boston MA USA. Cancer Research Group-School of Life Health and Chemical Sciences The Open University Walton Hall Milton Keynes MK7 6AA UK. Department of Urological Sciences and Vancouver Prostate Centre University of British Columbia Vancouver BC V6H3Z6 Canada. ywang@bccrc.ca. Faculty of Engineering and Natural Sciences Sabanci University Orta Mahalle Üniversite Caddesi No. 27 Orhanlı Tuzla Istanbul 34956 Turkey. milad.ashrafizadeh@sabanciuniv.edu. Department of Pharmacology Yong Loo Lin School of Medicine National University of Singapore Singapore 117599 Singapore. apkumar@nus.edu.sg. NUS Centre for Cancer Research (N2CR) Yong Loo Lin School of Medicine National University of Singapore Singapore Singapore. apkumar@nus.edu.sg.

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Cover Picture: Plasma process. Polym. 8/2018

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Plasma processes and Polymers 2018年第8期15卷

作者： Evangelos Delikonstantis Marco Scapinello Stella D. Sklari Georgios D. Stefanidis Process Engineering for Sustainable Systems (ProcESS) Department of Chemical Engineering KU Leuven Celestijnenlaan200F3001 Leuven Belgium Laboratory of Inorganic Materials Chemical Process Engineering Research Institute Center for Research and Technology Hellas 57001 Thessaloniki Greece

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The metabolite BH4 controls T cell proliferation in autoimmunity and cancer (vol 563, pg 564, 2018)

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NATURE 2019年第7769期572卷 E18-E18页

作者： Cronin, Shane J. F. Seehus, Corey Weidinger, Adelheid Talbot, Sebastien Reissig, Sonja Seifert, Markus Pierson, Yann McNeill, Eileen Longhi, Maria Serena Turnes, Bruna Lenfers Kreslavsky, Taras Kogler, Melanie Hoffmann, David Ticevic, Melita Scheffer, Debora da Luz Tortola, Luigi Cikes, Domagoj Jais, Alexander Rangachari, Manu Rao, Shuan Paolino, Magdalena Novatchkova, Maria Aichinger, Martin Barrett, Lee Latremoliere, Alban Wirnsberger, Gerald Lametschwandtner, Guenther Busslinger, Meinrad Zicha, Stephen Latini, Alexandra Robson, Simon C. Waisman, Ari Andrews, Nick Costigan, Michael Channon, Keith M. Weiss, Guenter Kozlov, Andrey V. Tebbe, Mark Johnsson, Kai Woolf, Clifford J. Penninger, Josef M. IMBA Institute of Molecular Biotechnology of the Austrian Academy of Sciences Vienna Austria Department of Neurobiology Harvard Medical School Boston USA FM Kirby Neurobiology Center Boston Children’s Hospital Boston USA Ludwig Boltzmann Institute for Experimental and Clinical Traumatology AUVA Research Center Vienna Austria Département de Pharmacologie et Physiologie Université de Montréal Montréal Québec Canada Institute for Molecular Medicine University Medical Center of the Johannes Gutenberg-University Mainz Mainz Germany Department of Internal Medicine II (Infectious Diseases Immunology Rheumatology and Pneumology) Medical University of Innsbruck Innsbruck Austria Institute of Chemical Sciences and Engineering Institute of Bioengineering National Centre of Competence in Research (NCCR) in Chemical Biology École Polytechnique Fédérale de Lausanne (EPFL) Lausanne Switzerland Division of Cardiovascular Medicine British Heart Foundation Centre for Research Excellence John Radcliffe Hospital University of Oxford Oxford UK Wellcome Trust Centre for Human Genetics Roosevelt Drive University of Oxford Oxford UK Division of Gastroenterology and Liver Center Department of Medicine Beth Israel Deaconess Medical Center (BIDMC) and Harvard Medical School (HMS) Harvard University Boston USA LABOX Departamento de Bioquímica Universidade Federal de Santa Catarina Florianópolis Brazil Research Institute of Molecular Pathology Vienna Biocenter Vienna Austria Karolinska Institute Department of Medicine Solna Center for Molecular Medicine Karolinska University Hospital Solna Stockholm Sweden Department of Neuronal Control of Metabolism Max Planck Institute for Metabolism Research Cologne Germany Department of Neurosciences Centre de Recherche de CHU de Québec–Université Laval Québec Québec Canada Department of Molecular Medicine Faculty of Medicine Université Laval Québec Quebec Canada Neurosurgery Department Johns Hopkins School of Medicine Baltimore USA Ap

An Amendment to this paper has been published and can be accessed via a link at the top of the paper.

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Evolution of Cr, Cu, Mn, and Zn during the composting process of chicken manure and their integrated potential ecological risk assessment

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IOP Conference Series: Earth and Environmental Science 2019年第1期349卷

作者： Liangqian Fan Jiaxin Miao Jingrui Yang Xiaoqing Zhao Maozhu Xie Weijuan Shi Jie Cai Weike Ding College of Civil Engineering Sichuan Agricultural University Dujiangyan 611830 China Sichuan Higher Education Engineering Research Center for Disaster Prevention and Mitigation of Village Construction Sichuan Agricultural University Dujiangyan 611830 China Department of Physical and Chemical Analysis Dujiangyan Center for Disease Control and Prevention Dujiangyan 611830 China

The aim of this study was to ascertain the evolution of Cr, Cu, Mn, and Zn during the composting process of chicken manure and their integrated potential ecological risk. This study detected the total amounts of Cr, Cu, Mn, and Zn in 4 samples collected at four different stages in the composting workshop of an intensive chicken farm in Chengdu, China. Furthermore, the chemical fractionation of the four heavy metals was analyzed by the BCR (European Community Bureau of Reference) three-step sequential extraction procedure for each sample. At last, the integrated potential ecological risk of Cr, Cu, Mn, and Zn in the compost at four different stages was evaluated by the procedure of potential ecological risk assessment based on its results of chemical fractionation of Cr, Cu, Zn, and Mn. During the composting process, the total amounts of Cr, Cu, Zn and Mn presented an increasing trend, significantly. Nevertheless, the residual fraction (Res-F) percentage of Cr, Zn, and Cu increased, and the acid extractable fraction (Aci-F) percentage of Mn decreased. The value of integrated potential ecological risk of the four heavy metals in the final product was 9.91. These results indicated the integrated potential ecological risk of the four heavy metals is low. This study provided a support on the promotion and utilization of compost for the intensive chicken farms in China.

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Author Correction: Direct imaging of structural disordering and heterogeneous dynamics of fullerene molecular liquid

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Nature communications 2020年第1期11卷 345页

作者： Jeongheon Choe Yangjin Lee Jungwon Park Yunho Kim Chae Un Kim Kwanpyo Kim Department of Physics Yonsei University Seoul 03722 Korea. Department of Physics Ulsan National Institute of Science and Technology (UNIST) Ulsan 44919 Korea. Center for Nanomedicine Institute for Basic Science (IBS) Seoul 03722 Korea. School of Chemical and Biological Engineering Institute of Chemical Process Seoul National University Seoul 08826 Korea. Center for Nanoparticle Research Institute for Basic Science (IBS) Seoul 08826 Korea. Department of Mathematical Sciences Ulsan National Institute of Science and Technology (UNIST) Ulsan 44919 Korea. Department of Physics Ulsan National Institute of Science and Technology (UNIST) Ulsan 44919 Korea. cukim@unist.ac.kr. Department of Physics Yonsei University Seoul 03722 Korea. kpkim@yonsei.ac.kr. Center for Nanomedicine Institute for Basic Science (IBS) Seoul 03722 Korea. kpkim@yonsei.ac.kr.

An amendment to this paper has been published and can be accessed via a link at the top of the paper.

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The Biosurfactant Surfactin as a Kinetic Promoter for Methane Hydrate Formation

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Energy Procedia 2017年 105卷 5011-5017页

作者： Gaurav Bhattacharjee Vivek Barmecha Darshan Pradhan Rajesh Naik Kirti Zare Rahul B. Mawlankar Syed G. Dastager Omkar S. Kushwaha Rajnish Kumar Chemical Engineering and Process Development Division CSIR-National Chemical Laboratory Pune 411008 Maharashtra India Chemical Engineering Department Padmashree Dr. D. Y. Patil Institute of Engineering Management and Research Pune 411044 Maharashtra India NCIM Resource Center CSIR-National Chemical Laboratory Pune 411008 Maharashtra India

In the present study, the effect of the biosurfactant Surfactin on methane hydrate formation kinetics was studied. Initially, several marine derived species were screened for the presence of Surfactin. The polymerase chain reaction technique was used as the preliminary screening step for Surfactin which was then followed up by a couple of different assays to provide conclusive evidence of the same. Based on these tests, the D-9 bacterial strain was identified as a producer of Surfactin. Once the presence of Surfactin had been proven, its effect on methane hydrate formation kinetics was investigated upon by carrying out hydrate formation experiments in a stirred tank reactor. The cell free supernatant containing Surfactin was itself used as the hydrate forming solution without any further processing. It was found that the presence of Surfactin in the system greatly enhances hydrate formation kinetics as compared to pure water. In fact the kinetics in presence of Surfactin also surpassed that obtained with 1 wt% SDS, the most commonly used synthetic kinetic hydrate promoter. This basic study can pave the way for more sophisticated research on the use of biosurfactants as kinetic promoters with a view on rapid methane hydrate formation kinetics for applications such as methane separation, storage and transport.

关键词： Gas hydrate biosurfactant lipopeptide kinetic promoter gas uptake

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Environmental Matrix Effects on Degradation Kinetics of Ibuprofen in a UV/ Persulfate System

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Journal of Advanced Oxidation Technologies 2018年第1期21卷

作者： Su, Rongkui Wei, Zongsu Luo, Shuang Spinney, Richard Gao, Lingwei Liu, Yucheng Wu, Chuan Chai, Liyuan Xiao, Ruiyang Institute of Environmental Engineering School of Metallurgy and Environment Central South University Changsha410083 China Chinese National Engineering Research Center for Control and Treatment of Heavy Metal Pollution Changsha410083 China Grand Water Research Institute - Rabin Desalination Laboratory Wolfson Faculty of Chemical Engineering Technion - Israel Institute of Technology Technion City Haifa32000 Israel Department of Chemistry and Biochemistry Ohio State University ColumbusOH43210 United States

In this study, we investigated the removal efficiency of an anti-inflammatory analgesic compound ibuprofen (IBU) in a UV/persulfate system under various environmentally relevant conditions. The effects of water matrix, including natural organic matter (NOM), sulfate anion (SO42-), nitrate anion (NO3-) and chloride anion(Cl-)were evaluated. Our results showed that the degradation kinetics of IBU was significantly enhanced in the presence of persulfate and the dominant degradation pathway was determined to be viasulfate radical anion (SO4·-) oxidation. The second order rate constant of IBU reacting with SO4·-was determined to be (1.26± 0.09)× 109M-1s-1at pH = 7.55. The observed pseudo first-order rate constants for IBU degradation (kobs) increased with the persulfate dosage, but it significantly decreased in the presence of NOM. The presence of SO42-and NO3-did not exhibit impact on the degradation of IBU, but the kobs values slightly decreased by about 15%in the presence of 5mM Cl-. The inhibition effect of Cl-might be due to secondary chlorine-derived radicals competing for SO4·-, resulting in a reduced IBU degradation kinetics.

关键词： Rate constants

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