Two grid refinement methods in the lattice Boltzmann framework for reaction–diffusion processes in complex systems‡
Literature Information
Davide Alemani, Bastien Chopard, Josep Galceran, Jacques Buffle
This paper studies the optimisation of a numerical model and a computer code to solve numerically reaction–diffusion processes in environmental or biological systems with complicated geometries and mixtures of reactions including time and spatial scales extending over several order of magnitude. In particular, we consider different grid refinement techniques in the framework of a lattice Boltzmann solver for reaction–diffusion systems. Two new grid refinement methods are proposed, which are both quantitatively good. The first method is based on the matching of the concentration profiles and fluxes across two adjacent sub-domains, while the second method is based on nested subgrids. The focus of our study is the trade off between accuracy and CPU time. We show how the different parameters of the method, such as the refinement factors, the location of the boundary between different grids or coupling methods at the interface affect the quality of the numerical solution and the efficiency of the method.
Recommended Journals

Russian Journal of General Chemistry

Organic Process Research & Development

Russian Journal of Organic Chemistry

Russian Journal of Coordination Chemistry

Journal of Natural Medicines

Acta Materialia

Journal of Peptide Science

Saudi Pharmaceutical Journal

Current Opinion in Solid State & Materials Science

Russian Journal of Bioorganic Chemistry
Related Literature
Structure elucidation of bacterial nonribosomal lipopeptides
Sebastian Götze, Pierre Stallforth
DOI: 10.1039/C9OB02539A
Branched lipid chains to prepare cationic amphiphiles producing hexagonal aggregates: supramolecular behavior and application to gene delivery
Amal Bouraoui, Rosy Ghanem, Mathieu Berchel, Laure Deschamps, Véronique Vié, Gilles Paboeuf, Tony Le Gall, Tristan Montier, Paul-Alain Jaffrès
DOI: 10.1039/C9OB02381J
Examination of pinanediol–boronic acid ester formation in aqueous media: relevance to the relative stability of trigonal and tetrahedral boronate esters
Mayte A. Martínez-Aguirre, Marcos Flores-Alamo, Felipe Medrano, Anatoly K. Yatsimirsky
DOI: 10.1039/D0OB00201A
Exploring the relationship between structure and activity in BODIPYs designed for antimicrobial phototherapy
Burkhard Gitter, Keith J. Flanagan, Christopher J. Kingsbury, Mathias O. Senge
DOI: 10.1039/D0OB00188K
Blue emissive dimethylmethylene-bridged triphenylamine derivatives appending cross-linkable groups
Kangyu Zhou, Hongfei Pan, Yongjie Zhang, Houchen Wang, Xiaofei Dong, Xiangkui Ren, Xianggao Li, Shirong Wang, Zhijian Chen
DOI: 10.1039/D0OB00622J
Correction: Base-catalyzed C-alkylation of potassium enolates with styrenes via a metal–ene reaction: a mechanistic study
Thierry N. J. Fouquet, Yasuo Norikane
DOI: 10.1039/D0OB90032J
The effect of spermidine on guanine decomposition via photoinduced electron transfer in DNA
Mayu Esumi, Shunsuke Sakurai, Makiko Tanaka
DOI: 10.1039/C9OB01860C
Effect of n-alkyl substitution on Cu(ii)-selective chemosensing of rhodamine B derivatives
Santosh Kumar Mishra
DOI: 10.1039/C9OB02439E
Characterization of the promiscuous N-acyl CoA transferase, LgoC, in legonoxamine biosynthesis
Justine Renault, Laurent Trembleau, Catherine Victoria, Ming Him Tong, Shan Wang, Kwaku Kyeremeh, Hai Deng
DOI: 10.1039/D0OB00320D
You might also like
What regulatory guidelines apply to 6-Bromo-2-methylimidazo[1,2-a]pyrimidine (CAS: 1111638-05-1)?
6-Bromo-2-methylimidazo[1,2-a]pyrimidine (CAS: 1111638-05-1) falls under various...
Are there alternatives to 1-Pyrrolidineethanol, β-methyl-α-phenyl-, (αS,βR) (CAS: 123620-80-4) in synthesis?
While there are no direct alternatives, similar compounds like 1-Pyrrolidineetha...
Is 4-Methyl-2,6-bis(2-methyl-2-propanyl)phenyl methylcarbamate (CAS: 1918-11-2) safe?
4-Methyl-2,6-bis(2-methyl-2-propanyl)phenyl methylcarbamate (CAS: 1918-11-2) is ...
How should 2-(3-Bromo-4-fluorophenyl)-1,3-dioxolane (CAS: 77771-04-1) be stored?
2-(3-Bromo-4-fluorophenyl)-1,3-dioxolane (CAS: 77771-04-1) should be stored in a...
What are the physical and chemical properties of 4,5,6,7-Tetrahydro-1H-indazole hydrochloride (CAS: 18161-11-0)?
4,5,6,7-Tetrahydro-1H-indazole hydrochloride is a white crystalline solid with a...
What is (2R)-1-Methoxy-3-phenyl-2-propanamine (CAS: 59919-07-2)?
(2R)-1-Methoxy-3-phenyl-2-propanamine is a chiral organic compound with the CAS ...
What industries use Ethyl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate (CAS: 56649-47-9)?
Ethyl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate is used in various industries...
What regulatory guidelines apply to 4-[(1E,3S)-1-(4-Hydroxyphenyl)-1,4-pentadien-3-yl]phenol (CAS: 17676-24-3)?
4-[(1E,3S)-1-(4-Hydroxyphenyl)-1,4-pentadien-3-yl]phenol (CAS: 17676-24-3) falls...
What industries use (S)-3-Amino-5-phenylpentanoic acid hydrochloride (CAS: 331846-97-0)?
(S)-3-Amino-5-phenylpentanoic acid hydrochloride is primarily used in the pharma...
How is 7-methoxy-1-benzothiophene-2-carboxylic acid (CAS: 88791-07-5) typically synthesized?
7-Methoxy-1-benzothiophene-2-carboxylic acid is typically synthesized by reactin...
Source Journal
Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.




![4-Penten-1-yl 2-[(2-furylmethyl)(1H-imidazol-1-ylcarbonyl)amino]butanoate structure 4-Penten-1-yl 2-[(2-furylmethyl)(1H-imidazol-1-ylcarbonyl)amino]butanoate structure](https://static.chemtradehub.com/structs/101/101903-30-4-ac34.webp)