Startseite Mesoscopic Simulations on the Aggregate Behavior of Oligomeric Adamantane Surfactants in Aqueous Solutions
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Mesoscopic Simulations on the Aggregate Behavior of Oligomeric Adamantane Surfactants in Aqueous Solutions

  • Jingrui Chen , Chufen Yang , Jianwei Guo , Dongyu Zhu , Shuqin Fu , Zhe Yang und Xing Zhong
Veröffentlicht/Copyright: 11. März 2016
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Tenside Surfactants Detergents
Aus der Zeitschrift Tenside Surfactants Detergents Band 53 Heft 2

Abstract

Oligomeric adamantane surfactants are novel surfactants using rigid adamantane as spacer group, which can form a variety of scales and shapes of micelles and aggregates in aqueous solution. In this paper, the self-assembling aggregate behavior of N,N-dimethyl dodecyl ammonium bromide adamantine [Ad-(NC12Br)], 1,3-di(N,N-dimethyl dodecyl ammonium bromide) adamantine [Ad-(NC12Br)2] and 1,3,5-tri-(N,N-dimethyl dodecyl ammonium bromide) adamantine [Ad-(NC12Br)3] in aqueous solution is studied by mesoscopic simulations of dissipative particle dynamics (DPD). The simulation results show that the critical micelle concentrations of the three adamantane oligomeric surfactants is in the order of [Ad-(NC12Br)3] < [Ad-(NC12Br)2] < [Ad-(NC12Br)]. The three oligomeric adamantane surfactants are able to form aggregates with a variety of spatial structures, such as spherical micelles, vesicles, lamellas, reticular lamellas, column lamellas or steric reticules in response to different surfactant concentrations in the aqueous solution.

Kurzfassung

Oligomere Adamantan-Tenside sind neuartige Verbindungen mit starrem Adamantan als Spacergruppe. Sie können Mizellen und Aggregate in einer Vielzahl von Formen und Längen in wässriger Lösung bilden. In dieser Arbeit wird die Selbstorganisation von Aggregaten in wässriger Lösung von N, N-Dimethyldodecylammoniumbromidadamantin [Ad-(NC12Br)], 1,3-Di(N,N-dimethyldodecylammoniumbromid)-adamantine [Ad-(NC12Br)2] und 1,3,5-Tri(N,N-dimethyldodecylammoniumbromide)-adamantine [Ad-(NC12Br)3] mit Hilfe mesoskopischer Simulation der dissipativen Teilchendynamik (DPD) untersucht. Die Ergebnisse der Simulation zeigen, dass die kritische Mizellenkonzentration der drei oligomeren Adamantan-Tenside vorliegt, wenn [Ad-(NC12Br)3] < [Ad-(NC12Br)2] < [Ad-(NC12Br)]. Die drei oligomeren Adamantan-Tenside können in Reaktion auf die unterschiedlichen Tensidkonzentrationen in wässriger Lösung Aggregate mit einer Vielzahl von räumlichen Strukturen wie sphärische Micellen, Vesicula, Lamellen, Lamellennetzen, Lamellensäulen oder sterische Netze bilden.

Key words: Adamantane; oligomeric surfactants; dissipative particle dynamics; aggregate behavior
Stichwörter: Adamantan; oligomere Tenside; dissipative Teilchendynamik; Aggregationsverhalten
*Correspondence address, Dr. Chufen Yang, Prof. Jianwei Guo, School of Chemical Engineering and Light Industry Guangdong University of Technology, No. 100 Waihuan Xi Road, Guangzhou Higher Education Mega Center Panyu District, Guangzhou, 510006, P. R. China. Tel.: 86-0 20-39 32 22 32, Fax: 86-0 20-39 32 22 32, E-Mail: ,

Jingrui Chen received his B. Sc. degree in Chemical Engineering and Technology (2012) in Guangdong University of Technology and is currently completing his M. Sc. in applied Chemical Engineering (2015) at Guangdong University of Technology, China. His interests include dissipative particle dynamics detergents, surfactants and organic synthesis.

Chufen Yang is a professor at the School of Chemical Engineering and Light Industry at Guangdong University of Technology, China. Her obtained an M. Sc. in organic chemical industry at South China University of Technology, a Ph. D. at South China University of Technology. Her research is focused on dissipative particle dynamics, chemical engineering and environmental technology.

Jianwei Guo is a professor at the School of Chemical Engineering and Light Industry at Guangdong University of Technology, China. He obtained an M. Sc. in organic chemical industry (1995) at TianJin University, a Ph. D. in industrial catalysis (2001) at South China University of Technology and a post-doctorate at Northwestern Polytechnical University (2003). His research is focused on catalysts, surfactants, detergents, flame retardants, and self-healing materials.

Dongyu Zhu earned her Ph. D. degree in polymer chemistry and physics in June 2013 in Sun Yat-sen University. Now she is a postdoctoral fellow at the School of Chemical Engineering and Light Industry, Guangdong University of Technology, China, where she obtained her master's degree in 2010. Her main research interests are focused on surfactants, detergents, flame retardants, hydrogels, and self-healing materials.

Shuqin Fu received her B. Sc. from JiangXi University of Science and Technology (2011) and is currently a Ph. D. student at Guangdong University of Technology, Guangzhou, China. Her main field of research is synthesis and properties of surfactants.

Zhe Yang earned his Ph. D. degree in China University of Petroleum. Now he is a postdoctoral fellow at the School of Chemical Engineering and Light Industry, Guangdong University of Technology, China. His main research interests are focused on carbon fiber, water treatment process and petrochemical engineering.

Xing Zhong received his B. Sc. from Guilin University of Technology (2009) and is currently finishing his Ph. D. in applied chemistry at Guangdong University of Technology, Guangzhou, China. His interests are focused on the synthesis and application of surfactants, adamantane chemistry and its biological relevance.

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Received: 2015-03-09
Accepted: 2015-09-18
Published Online: 2016-03-11
Published in Print: 2016-03-16

© 2016, Carl Hanser Publisher, Munich

Artikel in diesem Heft

  1. Contents/Inhalt
  2. Contents
  3. Application
  4. Qualitative and Quantitative Analysis of Microbial Communities in Household Dishwashers in Germany
  5. Molecular Dynamics
  6. Mesoscopic Simulations on the Aggregate Behavior of Oligomeric Adamantane Surfactants in Aqueous Solutions
  7. Novel Surfactants
  8. Synthesis, Surface Activity and Application Properties of a Novel Ethoxylated Gemini Trisiloxane Surfactant
  9. Synthesis and Surface Active Properties of Novel Oligomer Betaine Surfactants
  10. Synthesis and Evaluation of Some Phenol-Based Anionic Gemini Amphiphiles: Studying Their Influence in the Preparation of Cu2O nanoparticles
  11. Scale Inhibition
  12. Preparation of a Multifunctional Terpolymer Inhibitor for CaCO3 and BaSO4 in Oil Fields
  13. Experimental and Theoretical Study on Corrosion Inhibition of Mild steel in 20 % Formic Acid Solution Using Schiff Base-Based Cationic Gemini Surfactant
  14. Physical Chemistry
  15. Dipeptide Glycyl-Glycine (Gly-Gly)–Ninhydrin Reaction: Effect of Alkanediyl-α,ω-bis(dimethylcetylammonium bromide) (16-s-16, s = 4, 5, 6) Gemini Surfactants on the Reaction Rate
  16. Interactions of Cellulase and Oleic Acid Solution Mixtures
  17. Effect of Surfactants on Hydrolysis of Mono-N-ethyl-o-toluidine Phosphate
  18. Thermodynamic Solution Properties of Benzalkonium Chloride in Aqueous and Ethanolic Media and its Interactions with Organized Assemblies of Anionic Surfactant Sodium Dodecyl Sulphate and Amino Acids
https://doi.org/10.3139/113.110416
Schlagwörter für diesen Artikel
Adamantane; oligomeric surfactants; dissipative particle dynamics; aggregate behavior

Artikel in diesem Heft

  1. Contents/Inhalt
  2. Contents
  3. Application
  4. Qualitative and Quantitative Analysis of Microbial Communities in Household Dishwashers in Germany
  5. Molecular Dynamics
  6. Mesoscopic Simulations on the Aggregate Behavior of Oligomeric Adamantane Surfactants in Aqueous Solutions
  7. Novel Surfactants
  8. Synthesis, Surface Activity and Application Properties of a Novel Ethoxylated Gemini Trisiloxane Surfactant
  9. Synthesis and Surface Active Properties of Novel Oligomer Betaine Surfactants
  10. Synthesis and Evaluation of Some Phenol-Based Anionic Gemini Amphiphiles: Studying Their Influence in the Preparation of Cu2O nanoparticles
  11. Scale Inhibition
  12. Preparation of a Multifunctional Terpolymer Inhibitor for CaCO3 and BaSO4 in Oil Fields
  13. Experimental and Theoretical Study on Corrosion Inhibition of Mild steel in 20 % Formic Acid Solution Using Schiff Base-Based Cationic Gemini Surfactant
  14. Physical Chemistry
  15. Dipeptide Glycyl-Glycine (Gly-Gly)–Ninhydrin Reaction: Effect of Alkanediyl-α,ω-bis(dimethylcetylammonium bromide) (16-s-16, s = 4, 5, 6) Gemini Surfactants on the Reaction Rate
  16. Interactions of Cellulase and Oleic Acid Solution Mixtures
  17. Effect of Surfactants on Hydrolysis of Mono-N-ethyl-o-toluidine Phosphate
  18. Thermodynamic Solution Properties of Benzalkonium Chloride in Aqueous and Ethanolic Media and its Interactions with Organized Assemblies of Anionic Surfactant Sodium Dodecyl Sulphate and Amino Acids
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