Computer simulations of micelle fission
Literature Information
Juanjuan Gao, Shuangyang Li, Xianren Zhang, Wenchuan Wang
In this work, we study the fission process of large micelles by using dissipative particle dynamics. In general, there exist four different stages during a fission process. For the first stage, the morphological transition to the dumbbell intermediate structures occurs due to a perturbation, in this case, a change in head–head interaction. Then, in the next stage the dumbbell-like intermediate structure fluctuates for a longer or less time until it reaches mechanical instability. Simulation results indicate that the fluctuation of the intermediate structure in this stage can be regarded as a nucleation process. In the third stage, the neck breaks as a result of continuous narrowing. In the last stage the two or more freshly formed, small micelles retract and equilibrate to their final shapes. Simulation results demonstrate that the first, second and third stages are characterized by distinct dynamic features, depending on the surfactant architecture. It is found that surfactant architecture controls the micelle fission process, especially for the second stage, similar to the way it controls the size and shape of the aggregates at equilibrium. Since for most cases it is the second stage that dominates the lifetime of a micelle, we suggest that the molecule packing parameter is not only a predictor of the shape and size of aggregates, but also a predictor of kinetic properties for micelle fission.
Related Literature
Structure and dynamics of gold nanoparticles decorated with chitosan–gentamicin conjugates: ReaxFF molecular dynamics simulations to disclose drug delivery
Susanna Monti, Jiya Jose, Athira Sahajan, Nandakumar Kalarikkal, Sabu Thomas
DOI: 10.1039/C9CP02357G
Using optical resonances to control heat generation and propagation in silicon nanostructures
DOI: 10.1039/C8CP07573E
X-ray radiation-induced amorphization of metal–organic frameworks
Remo N. Widmer, Giulio I. Lampronti, Nicola Casati, Stefan Farsang, Thomas D. Bennett, Simon A. T. Redfern
DOI: 10.1039/C9CP01463B
Atomic-level crystallization in selective laser melting fabricated Zr-based metallic glasses
Yue Zhang, Haishun Liu, Jinyong Mo, Mingzi Wang, Zhe Chen, Yezeng He, Chunguang Tang
DOI: 10.1039/C9CP02181G
Oxygen transport and surface exchange mechanisms in LSCrF–ScCeSZ dual-phase ceramics
Zonghao Shen, Stephen J. Skinner, John A. Kilner
DOI: 10.1039/C9CP02175B
Hydrogenation-controlled mechanical properties in graphene helicoids: exceptional distribution-dependent behavior
Ali Sharifian, Hamid Hassanzadeh Afrouzi, Mostafa Baghani
DOI: 10.1039/C9CP01361J
Block copolymers as bile salt sequestrants: intriguing structures formed in a mixture of an oppositely charged amphiphilic block copolymer and bile salt
Karin Schillén, Luciano Galantini, Guanqun Du, Alessandra Del Giudice, Viveka Alfredsson, Anna M. Carnerup, Nicolae V. Pavel, Giancarlo Masci, Bo Nyström
DOI: 10.1039/C9CP01744E
Correction: Sub-Doppler infrared spectroscopy of resonance-stabilized hydrocarbon intermediates: ν3/ν4 CH stretch modes and CH2 internal rotor dynamics of benzyl radical
A. Kortyna, A. J. Samin, T. A. Miller
DOI: 10.1039/C9CP90148E
Energy storage properties of a two-dimensional TiB4 monolayer
Erdong Wu, Shi Liu
DOI: 10.1039/C9CP01864F
You might also like
How should waste containing 2-Ethyl-4-Methyl-1H-Imidazole-5-Carbaldehyde (CAS: 88634-80-4) be handled?
Waste containing 2-Ethyl-4-Methyl-1H-Imidazole-5-Carbaldehyde (CAS: 88634-80-4) ...
What industries use Triethoxy(octyl)silane (CAS: 1385031-14-0)?
Triethoxy(octyl)silane (CAS: 1385031-14-0) is widely used in the pharmaceuticals...
Are there alternatives to 3-iodo-7-nitro-1H-indazole (CAS: 864724-64-1) in synthesis?
Several alternatives to 3-iodo-7-nitro-1H-indazole (CAS: 864724-64-1) exist in t...
Are there alternatives to Benzene, bis[(trimethoxysilyl)ethyl] (CAS: 266317-71-9) in synthesis?
Yes, there are alternatives to Benzene, bis[(trimethoxysilyl)ethyl] (CAS: 266317...
Is Isothiazole-3-carbonitrile (CAS: 1452-17-1) safe?
Isothiazole-3-carbonitrile (CAS: 1452-17-1) is generally considered safe when us...
Is (3-Chlorophenyl)methanol (CAS: 873-63-2) safe?
(3-Chlorophenyl)methanol (CAS: 873-63-2) is considered low to moderately toxic. ...
How is (2S,3S)-2-Hydroxy-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-3-(2-naphthyl)propanoic acid (CAS: 959583-98-3) typically synthesized?
(2S,3S)-2-Hydroxy-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-3-(2-naphthyl)pr...
What precautions should be taken when handling Methyl 2-(bromomethyl)-5-methoxybenzoate (CAS: 788081-99-2)?
Proper handling of methyl 2-(bromomethyl)-5-methoxybenzoate requires the use of ...
What is 6,8-Dibromoimidazo[1,2-a]pyridine-2-carboxylic acid (CAS: 904805-36-3)?
6,8-Dibromoimidazo[1,2-a]pyridine-2-carboxylic acid (CAS: 904805-36-3) is an aro...
Is 3-Amino-5-bromo-2-pyridinecarbonitrile (CAS: 573675-27-1) safe?
3-Amino-5-bromo-2-pyridinecarbonitrile is considered safe when handled under pro...
Source Journal
Physical Chemistry Chemical Physics

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.














