Kinetics of NaCl nucleation in supercritical water investigated by molecular dynamics simulations

Literature Information

Publication Date 2007-06-05
DOI 10.1039/B703430J
Impact Factor 3.676
Authors

Norbert Lümmen, Bjørn Kvamme


View Original

Abstract

At system pressures between 17 MPa and 25 MPa the nucleation and growth of NaCl nanoparticles in water at supercritical conditions was investigated by molecular dynamics simulations at different system temperatures and system densities. Our results show that particle formation takes place within a few hundred picoseconds after the jump from ambient to supercritical conditions. After nucleation a phase of growth by adding monomers is followed by growth via cluster–cluster collisions. We present results on the time development of distributions of cluster sizes, cluster compositions, and cluster temperatures as well as radial distribution functions and nucleation rates.

Related Literature

Intrinsic flame retardant phosphonate-based vitrimers as a recyclable alternative for commodity polymers in composite materials

Jens C. Markwart, Alexander Battig, Tobias Urbaniak, Katharina Haag, Katharina Koschek, Bernhard Schartel, Frederik R. Wurm

2020-06-08 Paper

DOI: 10.1039/D0PY00275E

Back cover

2021-10-05 Cover

DOI: 10.1039/D1PY90129J

Synthesis of fused conjugated polymers containing imidazo[2,1-b]thiazole units by multicomponent one-pot polymerization

Ru Dong, Qi Chen, Xuediao Cai, Qi Zhang, Zhike Liu

2020-07-14 Paper

DOI: 10.1039/D0PY00680G

Biobased poly(ester-co-glycoside) from reactive natural Brønsted acidic deep eutectic solvent analogue

Gabriel Duaux, Etienne Fleury, Daniel Portinha

2021-08-27 Paper

DOI: 10.1039/D1PY00990G

High-performance polyamides with engineered disorder

Julien Cretenoud, Sandor Balog, Véronique Michaud, Jean-Marc Chenal, Olivier Lame, Christopher J. G. Plummer, Holger Frauenrath

2021-10-15 Paper

DOI: 10.1039/D1PY01225H

Polymer actuators based on covalent adaptable networks

Yahe Wu, Yan Ji

2020-05-14 Review Article

DOI: 10.1039/D0PY00075B

Impacts of performing electrolysis during organocatalyzed atom transfer radical polymerization

Daniel A. Corbin, Blaine G. McCarthy, Garret M. Miyake

2020-06-30 Paper

DOI: 10.1039/D0PY00643B

You might also like

Compound Q&A

What is the market or research trend for N-(4-Methoxybenzyl)-2-pyridinamine (CAS: 52818-63-0)?

N-(4-Methoxybenzyl)-2-pyridinamine (CAS: 52818-63-0) is increasingly being used ...

52818-63-0N-(4-Methoxybenzyl)-...
Compound Q&A

What precautions should be taken when handling Ethyl 4-(2-chlorophenyl)-1,3-thiazole-2-carboxylate (CAS: 1050507-06-6)?

When handling Ethyl 4-(2-chlorophenyl)-1,3-thiazole-2-carboxylate, appropriate p...

1050507-06-6Ethyl 4-(2-chlorophe...
Compound Q&A

What regulatory guidelines apply to diethyldiselane (CAS: 628-39-7)?

Diethyldiselane (CAS: 628-39-7) is classified under the Globally Harmonized Syst...

628-39-7Diethyldiselane
Compound Q&A

What is the market or research trend for oxocopper (CAS: 12053-18-8)?

The market for oxocopper (CAS: 12053-18-8) is primarily driven by its use in cat...

12053-18-8oxocopper; oxo-(oxoc...
Compound Q&A

What is the market or research trend for 5-{[(2-Methyl-2-propanyl)oxy]carbonyl}-5-azaspiro[2.4]heptane-7-carboxylic acid?

The market for 5-{[(2-Methyl-2-propanyl)oxy]carbonyl}-5-azaspiro[2.4]heptane-7-c...

1268519-54-55-{[(2-Methyl-2-prop...
Compound Q&A

What is 2-(1-Pyrrolidinyl)-4-pyridinamine (CAS: 35981-63-6)?

2-(1-Pyrrolidinyl)-4-pyridinamine is a chemical compound with the CAS number 359...

35981-63-62-(1-Pyrrolidinyl)-4...
Compound Q&A

What are the physical and chemical properties of 2-(3-Pyridinyl)-1-azabicyclo[2.2.2]octane (CAS: 91556-75-1)?

2-(3-Pyridinyl)-1-azabicyclo[2.2.2]octane (CAS: 91556-75-1) is a crystalline sol...

91556-75-12-(3-Pyridinyl)-1-az...
Compound Q&A

How is (S)-Alpha-allyl-proline hydrochloride (CAS: 129704-91-2) typically synthesized?

(S)-Alpha-allyl-proline hydrochloride is usually synthesized via a Wittig reacti...

129704-91-2(S)-Alpha-allyl-prol...
Compound Q&A

What is 3-Methyl-1,2-oxazole-5-carboxylic acid (CAS: 4857-42-5)?

3-Methyl-1,2-oxazole-5-carboxylic acid (CAS: 4857-42-5) is an organic compound w...

4857-42-53-Methyl-1,2-oxazole...
Compound Q&A

How is Lys-SMCC-DM1 (CAS: 1281816-04-3) typically synthesized?

Lys-SMCC-DM1 is synthesized via a multi-step process involving the coupling of S...

1281816-04-3Lys-SMCC-DM1

Source Journal

Physical Chemistry Chemical Physics

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 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.