Literature DB >> 28986687

Surfactant chain length and concentration influence on the interfacial tension of two immiscible model liquids: a coarse-grained approach.

R Catarino Centeno1,2, R A Bustamante-Rendón2, J S Hernández-Fragoso3, I Arroyo-Ordoñez2, E Pérez3,4, S J Alas3, A Gama Goicochea5.   

Abstract

The interfacial tension between immiscible liquids is studied as a function of a model linear surfactant length and concentration using coarse-grained, dissipative particle dynamics numerical simulations. The adsorption isotherms obtained from the simulations are found to be in agreement with Langmuir's model. The reduction of the interfacial tension with increasing surfactant concentration is found to display some common characteristics for all the values of chain length modeled, with our predictions being in agreement with Szyszkowski's equation. Lastly, the critical micelle concentration is predicted for all surfactant lengths, finding exponentially decaying behavior, in agreement with Kleven's model. It is argued that these findings can be helpful guiding tools in the interpretation of available experiments and in the design of new ones with new surfactants and polymers.

Entities:  

Keywords:  Adsorption; Critical micelle concentration; Dissipative particle dynamics; Interfacial tension; Surfactant chain length

Year:  2017        PMID: 28986687     DOI: 10.1007/s00894-017-3474-x

Source DB:  PubMed          Journal:  J Mol Model        ISSN: 0948-5023            Impact factor:   1.810


  16 in total

1.  Which surfactants reduce surface tension faster? A scaling argument for diffusion-controlled adsorption

Authors: 
Journal:  Adv Colloid Interface Sci       Date:  2000-02-01       Impact factor: 12.984

2.  Effect of surfactant conformation on the structures of small size nonionic reverse micelles: a molecular dynamics simulation study.

Authors:  Stéphane Abel; Marcel Waks; Massimo Marchi; Wladimir Urbach
Journal:  Langmuir       Date:  2006-10-24       Impact factor: 3.882

3.  Coarse-grained simulations of the salt dependence of the radius of gyration of polyelectrolytes as models for biomolecules in aqueous solution.

Authors:  F Alarcón; G Pérez-Hernández; E Pérez; A Gama Goicochea
Journal:  Eur Biophys J       Date:  2013-05-31       Impact factor: 1.733

4.  VMD: visual molecular dynamics.

Authors:  W Humphrey; A Dalke; K Schulten
Journal:  J Mol Graph       Date:  1996-02

5.  Modeling the temperature dependent interfacial tension between organic solvents and water using dissipative particle dynamics.

Authors:  E Mayoral; A Gama Goicochea
Journal:  J Chem Phys       Date:  2013-03-07       Impact factor: 3.488

6.  Mixed micellization of gemini and conventional surfactant in aqueous solution: a lattice Monte Carlo simulation.

Authors:  Hussein Gharibi; Zahra Khodadadi; S Morteza Mousavi-Khoshdel; S Majid Hashemianzadeh; Soheila Javadian
Journal:  J Mol Graph Model       Date:  2014-08-07       Impact factor: 2.518

7.  Explicit- and implicit-solvent simulations of micellization in surfactant solutions.

Authors:  Arben Jusufi; Athanassios Z Panagiotopoulos
Journal:  Langmuir       Date:  2014-10-05       Impact factor: 3.882

8.  Calculations of critical micelle concentration by dissipative particle dynamics simulations: the role of chain rigidity.

Authors:  Ming-Tsung Lee; Aleksey Vishnyakov; Alexander V Neimark
Journal:  J Phys Chem B       Date:  2013-07-25       Impact factor: 2.991

9.  Effect of polyoxypropylene chain length on the critical micelle concentration of propylene oxide-ethylene oxide block copolymers.

Authors:  Zhi-Guo Zhang; Hong Yin
Journal:  J Zhejiang Univ Sci B       Date:  2005-03       Impact factor: 3.066

10.  Adsorption and disjoining pressure isotherms of confined polymers using dissipative particle dynamics.

Authors:  A Gama Goicochea
Journal:  Langmuir       Date:  2007-10-03       Impact factor: 3.882

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  2 in total

1.  Effect of sequence distribution of block copolymers on the interfacial properties of ternary mixtures: a dissipative particle dynamics simulation.

Authors:  Dongmei Liu; Ye Lin; Huifeng Bo; Deyang Li; Kai Gong; Zhanxin Zhang; Sijia Li
Journal:  RSC Adv       Date:  2022-01-24       Impact factor: 3.361

2.  Dissipative Particle Dynamics Study on Interfacial Properties of Symmetric Ternary Polymeric Blends.

Authors:  Dongmei Liu; Kai Gong; Ye Lin; Tao Liu; Yu Liu; Xiaozheng Duan
Journal:  Polymers (Basel)       Date:  2021-05-08       Impact factor: 4.329

  2 in total

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