Determination of the distance-dependent viscosity of mixtures in parallel slabs using non-equilibrium molecular dynamics
Literature Information
Publication Date
2012-02-08
DOI
10.1039/C2CP22136E
Impact Factor
3.676
Authors
Stanislav Pařez, Milan Předota
View Original
Abstract
We generalize a technique for determination of the shear viscosity of mixtures in planar slabs using non-equilibrium computer simulations by applying an external force parallel to the surface generating Poiseuille flow. The distance-dependent viscosity of the mixture, given as a function of the distance from the surface, is determined by analysis of the resulting velocity profiles of all species. We present results for a highly non-ideal water + methanol mixture in the whole concentration range between rutile (TiO2) walls. The bulk results are compared to the existing equilibrium molecular dynamics and experimental data while the inhomogeneous viscosity profiles at the interface are interpreted using the structural data and information on hydrogen bonding.
Recommended Journals
Journal of Chemical Sciences
Journal of the Indian Institute of Science
Electroanalysis
Herald of the Russian Academy of Sciences
Colloid Journal
Heteroatom Chemistry
Acta Metallurgica Sinica-English Letters
Journal of Asian Natural Products Research
Bioorganic & Medicinal Chemistry Letters
Chinese Journal of Chemistry
Related Literature
Co–MnO/C nanoparticles derived from MOFs with improved conductivity and reduced volume change for lithium-ion batteries
Yiting Wang, Jie Zheng, Changjian He, Xiaochun Li, Yichuan Rui, Bohejin Tang
2023-11-21
Paper
DOI: 10.1039/D3NJ04872A
Micelle assisted synthesis of bismuth oxide nanoparticles for improved chemocatalytic degradation of toxic Congo red into non-toxic products
Aleena Pious, Shreya Muthukumar, Dharshini Karnan Singaravelu, Periyappan Nantheeswaran, Mariappan Mariappan, Arvind Sivasubramanian, Fuad Ameen, Anbazhagan Veerappan
2023-11-17
Paper
DOI: 10.1039/D3NJ04494G
Metal–organic gels: recent advances in their classification, characterization, and application in the pharmaceutical field
Wei Cao, Zezhi Lin, Daoyi Zheng, Jianjun Zhang, Weili Heng, Yuanfeng Wei, Yuan Gao, Shuai Qian
2023-10-20
Review Article
DOI: 10.1039/D3TB01612A
Enhanced visible-light photocatalysis in three-dimensional rose-like ZnO with oxygen vacancies and Ag nanoparticles
Shuoyu Chen, Tengfei Bi, Zhenxi Du, Shenghao Luo, Yuechun Fu, Huan He, Xiaoming Shen
2023-12-05
Paper
DOI: 10.1039/D3NJ04722A
Correction: Distortion-controlled 1,2-dicarbene reactivity of 3-triflyloxybenzynes: a theoretical approach
Fatemeh Pirouzi, Hossein Eshghi, Hossein Sabet-Sarvestani
2023-12-12
Correction
DOI: 10.1039/D3NJ90185H
Novel solar-light-driven Z-scheme BiOCl@WS2 nanocomposite photocatalysts for the photocatalytic removal of organic pollutants
Chang-Mou Wu, Kebena Gebeyehu Motora, Pankaj Koinkar, Akihiro Furube
2023-11-06
Paper
DOI: 10.1039/D3NJ04410F
Application of exosomes as nanocarriers in cancer therapy
Jiawei Hu, Junfei Zhu, Jingjing Chai, Yudie Zhao, Jiajie Luan, Yan Wang
2023-10-23
Review Article
DOI: 10.1039/D3TB01991H
Biomass-derived 2D carbon materials: structure, fabrication, and application in electrochemical sensors
Xuanyu Xiao, Lei Li, Hui Deng, Yuting Zhong, Wei Deng, Yuanyuan Xu, Zhiyu Chen, Jieyu Zhang, Xuefeng Hu, Yunbing Wang
2023-10-31
Review Article
DOI: 10.1039/D3TB01910A
On the mechanochemical synthesis of C-scorpionates with an oxime moiety and their application in the copper-catalyzed azide–alkyne cycloaddition (CuAAC) reaction
Carla Gomes, Mariana Costa, Susana M. M. Lopes, Bernardo Albuquerque Nogueira, José A. Paixão, Teresa M. V. D. Pinho e Melo, Luísa M. D. R. S. Martins, Marta Pineiro
2023-12-15
Paper
DOI: 10.1039/D3NJ05017C
Physically cross-linked organo-hydrogels for friction interfaces in joint replacements: design, evaluation and potential clinical applications
Zheng Li, Jia Wan, Wanbo Zhu, Yingjie Wang, Yuan Chen, Baoliang Lu, Junchen Zhu, Chen Zhu, Xianzuo Zhang
2023-11-16
Paper
DOI: 10.1039/D3TB01830J
You might also like
Compound Q&A
Is 6-(3-Fluorophenyl)picolinic acid (CAS: 887982-40-3) safe?
6-(3-Fluorophenyl)picolinic acid is generally considered safe for laboratory use...
887982-40-36-(3-Fluorophenyl)pi...
Compound Q&A
What industries use (3R)-3-Pyrrolidinol (CAS: 2799-21-5)?
(3R)-3-Pyrrolidinol is used in the pharmaceutical industry as a precursor for dr...
2799-21-5(3R)-3-Pyrrolidinol
Compound Q&A
What precautions should be taken when handling (4R,5R)-4,5-Diethoxycarbonyl-2,2-dimethyldioxolane (CAS: 59779-75-8)?
When handling (4R,5R)-4,5-Diethoxycarbonyl-2,2-dimethyldioxolane (CAS: 59779-75-...
59779-75-8(4R,5R)-4,5-Diethoxy...
Compound Q&A
How is 1-(6-Chloroimidazo[1,2-b]pyridazin-3-yl)ethanone (CAS: 90734-71-7) typically synthesized?
1-(6-Chloroimidazo[1,2-b]pyridazin-3-yl)ethanone is often synthesized via a mult...
90734-71-71-(6-Chloroimidazo[1...
Compound Q&A
What is the market or research trend for N-Ethyl-3,4-dimethylbenzylamine (CAS: 39180-83-1)?
The market for N-Ethyl-3,4-dimethylbenzylamine (CAS: 39180-83-1) remains steady,...
39180-83-1N-Ethyl-3,4-dimethyl...
Compound Q&A
What is Tert-butyl 3-(pyrrolidin-1-yl)azetidine-1-carboxylate (CAS: 1019008-21-9)?
Tert-butyl 3-(pyrrolidin-1-yl)azetidine-1-carboxylate is a chemical compound wit...
1019008-21-9Tert-butyl 3-(pyrrol...
Compound Q&A
What regulatory guidelines apply to 1-Bromo-3-chloro-2,4-dimethoxybenzene (CAS: 1228956-93-1)?
1-Bromo-3-chloro-2,4-dimethoxybenzene (CAS: 1228956-93-1) falls under the classi...
1228956-93-11-Bromo-3-chloro-2,4...
Compound Q&A
Is 8-Bromo-2-methyl-3,4-dihydroisoquinolin-1(2H)-one (CAS: 1368622-07-4) safe?
The safety of 8-Bromo-2-methyl-3,4-dihydroisoquinolin-1(2H)-one (CAS: 1368622-07...
1368622-07-48-Bromo-2-methyl-3,4...
Compound Q&A
Is Benzyl [(3S)-2,6-dioxo-3-piperidinyl]carbamate (CAS: 22785-43-9) safe?
Benzyl [(3S)-2,6-dioxo-3-piperidinyl]carbamate is generally safe when handled wi...
22785-43-9Benzyl [(3S)-2,6-dio...
Compound Q&A
How should 1-{[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]sulfonyl}pyrrolidine (CAS: 928657-21-0) be stored?
1-{[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]sulfonyl}pyrrolidine s...
928657-21-01-{[4-(4,4,5,5-Tetra...
Source Journal
Physical Chemistry Chemical Physics
CiteScore:
5.5
Self-citation Rate:
10.3%
Articles per Year:
3036
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.
Recommended Compounds
![3-[(3R,4R)-3-[(6-aminopyrimidin-4-yl)-methyl-amino]-4-methyl-1-piperidyl]-3-oxo-propanenitrile structure](https://static.chemtradehub.com/structs/164/1640971-60-3-83a4.webp "3-[(3R,4R)-3-[(6-aminopyrimidin-4-yl)-methyl-amino]-4-methyl-1-piperidyl]-3-oxo-propanenitrile structure")
3-[(3R,4R)-3-[(6-aminopyrimidin-4-yl)-methyl-amino]-4-methyl-1-piperidyl]-3-oxo-propanenitrile
CAS Number:
1640971-60-3
Molecular Formula:
C14H20N6O
![1H-Imidazo[4,5-c]pyridine-7-carboxylic acid structure](https://static.chemtradehub.com/structs/123/1234616-39-7-1344.webp "1H-Imidazo[4,5-c]pyridine-7-carboxylic acid structure")
(S)-1-(3-(Benzyloxy)phenyl)-3-(dimethylamino)-2-methylpropan-1-one (2r,3r)-2,3-bis(benzoyloxy)succinate
CAS Number:
1004315-81-4
Molecular Formula:
C37H37NO10
Recommended Suppliers
Disclaimer
This page provides academic journal information for reference and research purposes only. We are not affiliated with any journal publishers and do not handle publication submissions. For publication-related inquiries, please contact the respective journal publishers directly.
If you notice any inaccuracies in the information displayed, please contact us at support@chemtradehub.com. We will promptly review and address your concerns.