Surfactant desorption and scission free energies for cylindrical and spherical micelles from umbrella-sampling molecular dynamics simulations

Investigation of counterion effects of transition metal cations (Fe3+, Cu2+, Zn2+) on cetrimonium bromide using cyclic voltammetry

(2020) Asad Muhammad Khan et al.   JOURNAL OF MOLECULAR LIQUIDS

Promising Route for the Development of a Computational Framework for Self-Assembly and Phase Behavior Prediction of Ionic Surfactants Using MARTINI

(2019) Stefanos D. Anogiannakis et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Kinetics of Aggregation and Relaxation in Micellar Surfactant Solutions

(2018) A. K. Shchekin et al.   COLLOID JOURNAL

Phase behaviours of a cationic surfactant in deep eutectic solvents: from micelles to lyotropic liquid crystals

(2018) Qintang Li et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Nonmonotonic Scission and Branching Free Energies as Functions of Hydrotrope Concentration for Charged Micelles

(2018) Taraknath Mandal et al.   PHYSICAL REVIEW LETTERS

Stretch and Breakage of Wormlike Micelles Under Uniaxial Strain: A Simulation Study and Comparison With Experimental Results

(2018) Taraknath Mandal et al.   LANGMUIR

Study on the transformation from linear to branched wormlike micelles: An insight from molecular dynamics simulation

(2017) Pan Wang et al.   JOURNAL OF COLLOID AND INTERFACE SCIENCE

Full-time kinetics of self-assembly and disassembly in micellar solution via the generalized Smoluchowski equation with fusion and fission of surfactant aggregates

(2016) Alexander K. Shchekin et al.   JOURNAL OF CHEMICAL PHYSICS

Microfluidic SAXS Study of Lamellar and Multilamellar Vesicle Phases of Linear Sodium Alkylbenzenesulfonate Surfactant with Intrinsic Isomeric Distribution

(2016) Andreas S. Poulos et al.   LANGMUIR

Topology, length scales, and energetics of surfactant micelles

(2015) Subas Dhakal et al.   JOURNAL OF CHEMICAL PHYSICS

Multiscale Molecular Dynamics Simulations of Model Hydrophobically Modified Ethylene Oxide Urethane Micelles

(2015) Fang Yuan et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Structure and Dynamics of Ionic Micelles: MD Simulation and Neutron Scattering Study

(2015) B. Aoun et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Potentials of Mean Force and Escape Times of Surfactants from Micelles and Hydrophobic Surfaces Using Molecular Dynamics Simulations

(2015) Fang Yuan et al.   LANGMUIR

Coarse-Grained Molecular Dynamics Simulation of Self-Assembly and Surface Adsorption of Ionic Surfactants Using an Implicit Water Model

(2015) Shihu Wang et al.   LANGMUIR

Dynamics and Scission of Rodlike Cationic Surfactant Micelles in Shear Flow

(2015) Abhinanden Sambasivam et al.   PHYSICAL REVIEW LETTERS

Studying the concentration dependence of the aggregation number of a micellar model system by SANS

(2015) Matthias Amann et al.   Soft Matter

Uniaxial Extension of Surfactant Micelles: Counterion Mediated Chain Stiffening and a Mechanism of Rupture by Flow-Induced Energy Redistribution

(2015) Subas Dhakal et al.   ACS Macro Letters

pH controlled size/shape in CTAB micelles with solubilized polar additives: A viscometry, scattering and spectral evaluation

(2014) Vijay Patel et al.   COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS

Molecular Dynamics Simulations of Sodium Dodecyl Sulfate Micelles in Water—The Effect of the Force Field

(2014) Xueming Tang et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Fusion and Fission Inhibited by the Same Mechanism in Electrostatically Charged Surfactant Micelles

(2014) Yahya Rharbi et al.   LANGMUIR

Explicit- and Implicit-Solvent Simulations of Micellization in Surfactant Solutions

(2014) Arben Jusufi et al.   LANGMUIR

Investigating the spontaneous formation of SDS micelle in aqueous solution using a coarse-grained force field

(2014) José Maria Pires et al.   QUIMICA NOVA

Kinetics of micellisation and relaxation of cylindrical micelles described by the difference Becker–Döring equation

(2013) I. A. Babintsev et al.   Soft Matter

Micellization and relaxation in solution with spherical micelles via the discrete Becker–Döring equations at different total surfactant concentrations

(2012) Ilya Babintsev et al.   JOURNAL OF CHEMICAL PHYSICS

Multiscale molecular dynamics simulations of micelles: coarse-grain for self-assembly and atomic resolution for finer details

(2012) Pilar Brocos et al.   Soft Matter

Coarse-Grained Molecular Dynamics Simulations of the Sphere to Rod Transition in Surfactant Micelles

(2011) Ashish V. Sangwai et al.   LANGMUIR

A systematic study of equilibrium structure, thermodynamics, and rheology of aqueous CTAB/NaNO3 wormlike micelles

(2010) Matthew E. Helgeson et al.   JOURNAL OF COLLOID AND INTERFACE SCIENCE

Concentration and Medium Micellar Kinetic Effects Caused by Morphological Transitions

(2010) María del Mar Graciani et al.   LANGMUIR

Computer simulations of micelle fission

(2010) Juanjuan Gao et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

A coarse-grained molecular dynamics simulation of a sodium dodecyl sulfate micelle in aqueous solution

(2009) Seifollah Jalili et al.   COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS

Membrane poration by antimicrobial peptides combining atomistic and coarse-grained descriptions

(2009) Andrzej J. Rzepiela et al.   FARADAY DISCUSSIONS

Nonlinear kinetics of fast relaxation in solutions with short and lengthy micelles

(2009) M. S. Kshevetskiy et al.   JOURNAL OF CHEMICAL PHYSICS

Martini Coarse-Grained Force Field: Extension to Carbohydrates

(2009) Cesar A. López et al.   Journal of Chemical Theory and Computation

PACKMOL: A package for building initial configurations for molecular dynamics simulations

(2009) L. Martínez et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Visualization and analysis of atomistic simulation data with OVITO–the Open Visualization Tool

(2009) Alexander Stukowski   MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING

Kinetics of slow relaxation upon the competition between globular and small spherocylindrical micelles

(2008) M. S. Kshevetskii et al.   COLLOID JOURNAL

Diffusing wave spectroscopy in Maxwellian fluids

(2008) J. Galvan-Miyoshi et al.   EUROPEAN PHYSICAL JOURNAL E

Coarse-Grained Molecular Dynamics Studies of the Concentration and Size Dependence of Fifth- and Seventh-Generation PAMAM Dendrimers on Pore Formation in DMPC Bilayer

(2008) Hwankyu Lee et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Implicit Solvent Models for Micellization of Ionic Surfactants

(2008) Arben Jusufi et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Micelle Fission through Surface Instability and Formation of an Interdigitating Stalk

(2008) Maria Sammalkorpi et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY