Monte Carlo simulation of the self-assembly process of nonionic surfactants (type H X T Y ) considering second-neighbor interaction between surfactant molecules

2004 ◽  
pp. 146-150
Author(s):  
C. P. Zapata ◽  
H. Casanova ◽  
J. Restrepo
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Self Assembly ◽  
Nonionic Surfactants ◽  
The Self ◽  
Assembly Process ◽  
Neighbor Interaction

Computer Simulation of Self-Assembly of Disc-Shaped Nanoparticles

2013 ◽  
Vol 710 ◽  
pp. 716-719
Author(s):  
Bo Du ◽  
Zi Lu Wang ◽  
Xue Hao He
Keyword(s):  
Computer Simulation ◽  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Simulated Annealing ◽  
Formation Mechanism ◽  
Self Assembly ◽  
Nematic Phase ◽  
The Self ◽  
Isotropic Phase ◽  
Shaped Nanoparticles

Understanding how nanoparticles self-assemble into specific structures is important in biology. The self-assembly structures of disc-shaped nanoparticles are investigated using Gay Berne potential. Through the simulated annealing Monte Carlo simulation underNVTcondition, we found that various nanostructures such as nematic phase and isotropic phase are discovered. The formation mechanism of these novel nanostructures is discussed.

scholarly journals Stepwise study on Janus-like particles fabricated by polymeric mixtures within soft droplets: a Monte Carlo simulation

RSC Advances ◽  
2017 ◽  
Vol 7 (61) ◽  
pp. 38666-38676 ◽  
Author(s):  
Yuping Sheng ◽  
Li Xia ◽  
Guanzhou Yang ◽  
Yiqing Xia ◽  
Yong Huang ◽  
...  
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Self Assembly ◽  
The Self ◽  
Janus Particles ◽  
Polymer Mixtures ◽  
Assembly Behavior

Janus particles were fabricated using different polymer mixtures and the self-assembly behavior for different particles was compared.

MONTE CARLO SIMULATION OF SELF-ASSEMBLED AMPHIPHILIC DIBLOCK COPOLYMER IN SOLUTION

2003 ◽  
Vol 17 (01n02) ◽  
pp. 241-244 ◽  
Author(s):  
PINGCHUAN SUN ◽  
YUHUA YIN ◽  
BAOHUI LI ◽  
QINGHUA JIN ◽  
DATONG DING
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Diblock Copolymer ◽  
Self Assembly ◽  
Diblock Copolymers ◽  
The Self ◽  
Amphiphilic Diblock Copolymer ◽  
The Core ◽  
Spherical Micelles ◽  
The Given

In this paper, Monte Carlo method is applied to simulate the process of the self-assembly of amphiphilic diblock copolymer with a series of block lengths of the insoluble and soluble blocks. Under the given simulation conditions, the diblock copolymers form spherical micelles in solution. The dependence of the core radii of spherical micelles on both block lengths is obtained and compared with experimental results of Eisenberg and coworkers.

scholarly journals Self-Assembled Nanomaterials Based on Complementary Sn(IV) and Zn(II)-Porphyrins, and Their Photocatalytic Degradation for Rhodamine B Dye

Molecules ◽  
2021 ◽  
Vol 26 (12) ◽  
pp. 3598
Author(s):  
Nirmal K. Shee ◽  
Hee-Joon Kim
Keyword(s):  
Aqueous Solution ◽  
Visible Light Irradiation ◽  
Rhodamine B ◽  
Self Assembly ◽  
The Self ◽  
Assembly Process ◽  
Absorption Bands ◽  
Ligand Coordination ◽  
Rhodamine B Dye ◽  
Metal Ligand

A series of porphyrin triads (1–6), based on the reaction of trans-dihydroxo-[5,15-bis(3-pyridyl)-10,20-bis(phenyl)porphyrinato]tin(IV) (SnP) with six different phenoxy Zn(II)-porphyrins (ZnLn), was synthesized. The cooperative metal–ligand coordination of 3-pyridyl nitrogens in the SnP with the phenoxy Zn(II)-porphyrins, followed by the self-assembly process, leads to the formation of nanostructures. The red-shifts and remarkable broadening of the absorption bands in the UV–vis spectra for the triads in CHCl3 indicate that nanoaggregates may be produced in the self-assembly process of these triads. The emission intensities of the triads were also significantly reduced due to the aggregation. Microscopic analyses of the nanostructures of the triads reveal differences due to the different substituents on the axial Zn(II)-porphyrin moieties. All these nanomaterials exhibited efficient photocatalytic performances in the degradation of rhodamine B (RhB) dye under visible light irradiation, and the degradation efficiencies of RhB in aqueous solution were observed to be 72~95% within 4 h. In addition, the efficiency of the catalyst was not impaired, showing excellent recyclability even after being applied for the degradation of RhB in up to five cycles.

scholarly journals Metal Oxide-Related Dendritic Structures: Self-Assembly and Applications for Sensor, Catalysis, Energy Conversion and Beyond

Nanomaterials ◽  
2021 ◽  
Vol 11 (7) ◽  
pp. 1686
Author(s):  
Ruohong Sui ◽  
Paul A. Charpentier ◽  
Robert A. Marriott
Keyword(s):  
Metal Oxide ◽  
Energy Conversion ◽  
Self Assembly ◽  
Hierarchical Structures ◽  
The Self ◽  
Assembly Process ◽  
Electronic Noses ◽  
Dendritic Nanostructures ◽  
Energy Conversion And Storage ◽  
The Aesthetic

In the past two decades, we have learned a great deal about self-assembly of dendritic metal oxide structures, partially inspired by the nanostructures mimicking the aesthetic hierarchical structures of ferns and corals. The self-assembly process involves either anisotropic polycondensation or molecular recognition mechanisms. The major driving force for research in this field is due to the wide variety of applications in addition to the unique structures and properties of these dendritic nanostructures. Our purpose of this minireview is twofold: (1) to showcase what we have learned so far about how the self-assembly process occurs; and (2) to encourage people to use this type of material for drug delivery, renewable energy conversion and storage, biomaterials, and electronic noses.

Controllable Synthesis of Cobalt Porphyrin Nanocrystals through Micelle Confinement Self-Assembly

MRS Advances ◽  
2020 ◽  
Vol 5 (42) ◽  
pp. 2147-2155
Author(s):  
Sudi Chen ◽  
Xitong Ren ◽  
Shufang Tian ◽  
Jiajie Sun ◽  
Feng Bai
Keyword(s):  
Self Assembly ◽  
Water Oxidation ◽  
Separation Efficiency ◽  
Noncovalent Interactions ◽  
Building Blocks ◽  
The Self ◽  
Hexagonal Prism ◽  
Assembly Process ◽  
Surfactant Micelles ◽  
Cobalt Porphyrin

AbstractThe self-assembly of optically active building blocks into functional nanocrystals as high-activity photocatalysts is a key in the field of photocatalysis. Cobalt porphyrin with abundant catalytic properties is extensively studied in photocatalytic water oxidation and CO2 reduction. Here, we present the fabrication of cobalt porphyrin nanocrystals through a surfactant-assisted interfacial self-assembly process using Co-tetra(4-pyridyl) porphyrin as building block. The self-assembly process relies on the combined noncovalent interactions such as π-π stacking and axial Co-N coordination between individual porphyrin molecules within surfactant micelles. Tuning different reaction conditions (temperature, the ratio of co-solvent DMF) and types of surfactant, various nanocrystals with well-defined 1D to 3D morphologies such as nanowires, nanorods and nano hexagonal prism were obtained. Due to the ordered accumulation of molecules, the nanocrystals exhibit the properties of the enhanced capability of visible light capture and can conduce to improve the transport and separation efficiency of the photogenerated carriers, which is important for photocatalysis. Further studies of photocatalytic CO2 reduction are being performed to address the relationship between the size and shape of the nanocrystals with the photocatalytic activity.

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