Presentations -

散逸粒子動力学法を用いたナノチューブ内における界面活性剤水溶液の管内流れのシミュレーション

本松崇裕, 荒井規允

第31回分子シミュレーション討論会 (金沢市，石川) , 

2017.11

, 

Other, 分子シミュレーション研究会

A study on many-body dissipative particle dynamics simulations for the polymer droplet on hydrophilic/hydrophobic-patterned solid wall

K. Nishiwaki, N. Arai

The 9th JSME-KSME Thermal and Fluids Engineering Conference (Okinawa, Japan) , 

2017.10

, 

Oral presentation (general)

Prediction of high-performance surfactant molecules by machine learning ~Property evaluation by dissipative particle dynamics simulation~

T. Inokuchi, N. Li, K. Morohoshi, N. Arai

The 9th JSME-KSME Thermal and Fluids Engineering Conference (Okinawa, Japan) , 

2017.10

, 

Oral presentation (general)

Self-assembly and viscosity behavior of surfactant aqueous solution confined in a Janus and uniform nanotubes

Y. Kobayashi, N. Arai

The 9th JSME-KSME Thermal and Fluids Engineering Conference (Okinawa, Japan) , 

2017.10

, 

Oral presentation (general)

Behavior of Telechelic Polymer Solutions under Shear Flow using Dissipative Particle Dynamics Simulation)

ARAI Noriyoshi

The Proceedings of Mechanical Engineering Congress, Japan (さいたま市, 埼玉) , 

2017.09

, 

Other, The Japan Society of Mechanical Engineers

　View Summary

<p>A telechelic polymer is an amphiphilic polymer which can form micellar structures when dissolved in water. A telechelic polymer solution shows viscoelastic behavior due to the formation of a characteristic network, i.e. loop, bridge, and dangling chain. For industrial purposes, it has been utilized for paint, cosmetics, etc. as a thickening agent. It is thus strongly demanding to predict or control its rheological properties. However, detailed studies in the molecular level have not been clarified out yet. In this study, we adopted a dissipative particle dynamics simulation method to investigate the relation between the characteristic rheological properties and the molecular structure in telechelic polymer solutions.</p>

Self-Assembly and Viscosity Behavior of Surfactant Aqueous Solution Confined in Nanotube

KOBAYASHI Yusei, Arai Noriyoshi

The Proceedings of Mechanical Engineering Congress, Japan (さいたま市, 埼玉) , 

2017.09

, 

Other, The Japan Society of Mechanical Engineers

　View Summary

<p>In recent years, Janus amphiphilic nanotubes with complex surfaces have been synthesized. However, the self-assembly behavior of surfactant solutions confined in a Janus amphiphilic nanotube has not been investigated so far. We performed molecular simulations to investigate the morphologies and phase diagrams of a surfactant confined in Janus amphiphilic nanotube consisting of both hydrophobic and hydrophilic surfaces. We derived a phase diagram of the representative snapshots of equilibrium morphologies. Morphologies that were not observed in the bulk eventuated in confined systems. Moreover, the self-assembled structures were found to be dependent on the spatial confinement. Furthermore, the self-assembled structures confined in hydroneutral and Janus amphiphilic nanotubes were compared. The results suggested that the self-assembled structures confined in the Janus amphiphilic nanotube resembled that confined in the hydroneutral nanotube owing to a strong confinement effect. Our simulation offers a guide to control the rheological properties of surfactant solutions by the chemical patterns on the surfaces of nanochannels, the effect of confinement, and the self-assembled structure.</p>

Confinement effect for self-assembly structures and processes in surfactant solutions under the influence of system conditions

Y. Yoshimoto, N. Arai

IUMRS-ICAM2017 (Kyoto, Japan) , 

2017.08

, 

Other

Dissipative particle dynamics simulations for resolving scaling laws of polyethylene melts

R. Miwatani, K. Z. Takahashi, N. Arai

IUMRS-ICAM2017 (Kyoto, Japan) , 

2017.08

, 

Other

First passage time analysis for water in lipid membrane ~A dissipative particle dynamics study~

T. Inokuchi, N. Arai

IUMRS-ICAM2017 (Kyoto, Japan) , 

2017.08

, 

Other

FDPSを用いたソフトポテンシャルの分子シミュレーション ~Patchy nanoparticleの自己集合構造~

荒井規允

FDPSに関する講習会 (神戸市, 兵庫県) , 

2017.08

, 

Public lecture, seminar, tutorial, course, or other speech, 理化学研究所

Analysis of liquid-crystal orientation in confinement system: A dissipative particle dynamics study

T. Inokuchi, N. Arai

91st ACS | Colloid & Surface Science Symposium (New York, USA) , 

2017.07

, 

Other

Dissipative particle dynamics simulation for self-assembly of polymer electrolyte fuel cell membranes using Janus or homogeneous nanoparticles

Y. Kobayashi, N. Arai

91st ACS | Colloid & Surface Science Symposium (New York, USA) , 

2017.07

, 

Other

The study on the confinement effect of self-assembly process and structure in surfactant solution using coarse-grained molecular simulation

Y. Yoshimoto, N. Arai

10th Liquid Matter Conference (LMC) (Ljubljana, Slovenia) , 

2017.07

, 

Other

Self-assembly of patchy nanoparticle swith various patch arrangements using molecular simulation

Y. Kobayashi, K. Nomura, N. Arai

10th Liquid Matter Conference (LMC) (Ljubljana, Slovenia) , 

2017.07

, 

Other

Many-body dissipative particle dynamics simulation for size- and chain length-dependences of static polymer droplet behavior

N. Arai, N. Kadoya

91st ACS | Colloid & Surface Science Symposium (New York, USA) , 

2017.07

, 

Other

Effect of noncovalent bond for morphological behavior of triblock type supra macromolecule using dissipative particle dynamics simulation

Y. Araki, N. Arai

91st ACS | Colloid & Surface Science Symposium (New York, USA) , 

2017.07

, 

Other

Dissipative Particle dynamics simulation for Janus amphiphilic nanotube ~Self- assembly of surfactant aqueous solution~

Y. Kobayashi, N. Arai

The 6th International Symposium on Micro and Nano Technology (ISMNT-6) (Fukuoka, Japan) , 

2017.03

, 

Other

Dissipative particle dynamics simulation for telechelic polymer solution under shear flow

N. Arai

The 6th International Symposium on Micro and Nano Technology (ISMNT-6) (Fukuoka, Japan) , 

2017.03

, 

Other

Janus 表面を持つナノチューブ内における界面活性剤水溶液の自己集合に関する散逸粒子動力学シミュレーション

小林祐生, 荒井規允

第30回分子シミュレーション討論会 (豊中市, 大阪) , 

2016.11

, 

Other, 分子シミュレーション研究会

散逸粒子動力学シミュレーションを用いた分子認識機能を持つトリブロックポリマーモデルによる自己集合構造

荒木雄介, 荒井規允

第30回分子シミュレーション討論会 (豊中市, 大阪) , 

2016.11

, 

Other, 分子シミュレーション研究会