A model study of the conversion of energy from a chemical reaction into motion through a solvation motor

Ken Tokunaga, Ryo Akiyama

Research output: Contribution to journalArticle

Abstract

Molecular dynamics simulations with the explicit simple solvent model are examined to study the conversion of energy from chemical reactions into the motion of a motor molecule due to the solvation change around the reaction site on the motor molecule. Here, the appearance and disappearance of the attractive interaction between a reaction site and solvent molecules are introduced as a "chemical" reaction. Each of the events for the motion of a solvation motor resembles a random walk. However, on average, changes in the solvation structure due to the "chemical" reaction cause the forward motion, and the displacement of the motor becomes larger than the motor size. The motor is accelerated twice. The collision of solvent molecules with the reaction site caused by the appearance of attraction is dominant as the first driving force during the "chemical" reaction period. The second acceleration is driven by the scattering of solvent molecules near the "chemical" reaction site on the motor after the "chemical" reaction period. Although the driving force becomes larger as the packing fraction of the solvent increases, the displacement becomes smaller due to the friction.

Original languageEnglish
Article numberSA019
Journaljournal of the physical society of japan
Volume81
Issue numberSUPPL. A
DOIs
Publication statusPublished - Jan 1 2012

Fingerprint

solvation
chemical reactions
molecules
energy
random walk
attraction
friction
molecular dynamics
collisions
causes
scattering
simulation
interactions

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)

Cite this

A model study of the conversion of energy from a chemical reaction into motion through a solvation motor. / Tokunaga, Ken; Akiyama, Ryo.

In: journal of the physical society of japan, Vol. 81, No. SUPPL. A, SA019, 01.01.2012.

Research output: Contribution to journalArticle

@article{c6343ad9034546d8b370db7652811694,
title = "A model study of the conversion of energy from a chemical reaction into motion through a solvation motor",
abstract = "Molecular dynamics simulations with the explicit simple solvent model are examined to study the conversion of energy from chemical reactions into the motion of a motor molecule due to the solvation change around the reaction site on the motor molecule. Here, the appearance and disappearance of the attractive interaction between a reaction site and solvent molecules are introduced as a {"}chemical{"} reaction. Each of the events for the motion of a solvation motor resembles a random walk. However, on average, changes in the solvation structure due to the {"}chemical{"} reaction cause the forward motion, and the displacement of the motor becomes larger than the motor size. The motor is accelerated twice. The collision of solvent molecules with the reaction site caused by the appearance of attraction is dominant as the first driving force during the {"}chemical{"} reaction period. The second acceleration is driven by the scattering of solvent molecules near the {"}chemical{"} reaction site on the motor after the {"}chemical{"} reaction period. Although the driving force becomes larger as the packing fraction of the solvent increases, the displacement becomes smaller due to the friction.",
author = "Ken Tokunaga and Ryo Akiyama",
year = "2012",
month = "1",
day = "1",
doi = "10.1143/JPSJS.81SA.SA019",
language = "English",
volume = "81",
journal = "Journal of the Physical Society of Japan",
issn = "0031-9015",
publisher = "Physical Society of Japan",
number = "SUPPL. A",

}

TY - JOUR

T1 - A model study of the conversion of energy from a chemical reaction into motion through a solvation motor

AU - Tokunaga, Ken

AU - Akiyama, Ryo

PY - 2012/1/1

Y1 - 2012/1/1

N2 - Molecular dynamics simulations with the explicit simple solvent model are examined to study the conversion of energy from chemical reactions into the motion of a motor molecule due to the solvation change around the reaction site on the motor molecule. Here, the appearance and disappearance of the attractive interaction between a reaction site and solvent molecules are introduced as a "chemical" reaction. Each of the events for the motion of a solvation motor resembles a random walk. However, on average, changes in the solvation structure due to the "chemical" reaction cause the forward motion, and the displacement of the motor becomes larger than the motor size. The motor is accelerated twice. The collision of solvent molecules with the reaction site caused by the appearance of attraction is dominant as the first driving force during the "chemical" reaction period. The second acceleration is driven by the scattering of solvent molecules near the "chemical" reaction site on the motor after the "chemical" reaction period. Although the driving force becomes larger as the packing fraction of the solvent increases, the displacement becomes smaller due to the friction.

AB - Molecular dynamics simulations with the explicit simple solvent model are examined to study the conversion of energy from chemical reactions into the motion of a motor molecule due to the solvation change around the reaction site on the motor molecule. Here, the appearance and disappearance of the attractive interaction between a reaction site and solvent molecules are introduced as a "chemical" reaction. Each of the events for the motion of a solvation motor resembles a random walk. However, on average, changes in the solvation structure due to the "chemical" reaction cause the forward motion, and the displacement of the motor becomes larger than the motor size. The motor is accelerated twice. The collision of solvent molecules with the reaction site caused by the appearance of attraction is dominant as the first driving force during the "chemical" reaction period. The second acceleration is driven by the scattering of solvent molecules near the "chemical" reaction site on the motor after the "chemical" reaction period. Although the driving force becomes larger as the packing fraction of the solvent increases, the displacement becomes smaller due to the friction.

UR - http://www.scopus.com/inward/record.url?scp=84866355088&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=84866355088&partnerID=8YFLogxK

U2 - 10.1143/JPSJS.81SA.SA019

DO - 10.1143/JPSJS.81SA.SA019

M3 - Article

AN - SCOPUS:84866355088

VL - 81

JO - Journal of the Physical Society of Japan

JF - Journal of the Physical Society of Japan

SN - 0031-9015

IS - SUPPL. A

M1 - SA019

ER -