NDLI: Effects of hydrogen-bond environment on single particle and pair dynamics in liquid water

Content Provider	Springer Nature Link
Author	Chandra, Amalendu Chowdhuri, Snehasis
Copyright Year	2001
Abstract	We have performed molecular dynamics simulations of liquid water at 298 and 258 K to investigate the effects of hydrogen-bond environment on various single-particle and pair dynamical properties of water molecules at ambient and supercooled conditions. The water molecules are modelled by the extended simple point charge (SPC/E) model. We first calculate the distribution of hydrogen-bond environment in liquid water at both temperatures and then investigate how the self-diffusion and orientational relaxation of a single water molecule and also the relative diffusion and relaxation of the hydrogen-bond of a water pair depend on the nature of the hydrogen-bond environment of the tagged molecules. We find that the various dynamical quantities depend significantly on the hydrogen-bond environment, especially at the supercooled temperature. The present study provides a molecular-level insight into the dynamics of liquid water under ambient and supercooled conditions.
Starting Page	591
Ending Page	601
Page Count	11
File Format	PDF
ISSN	02534134
Journal	Journal of Chemical Sciences
Volume Number	113
Issue Number	5-6
e-ISSN	09737103
Language	English
Publisher	Springer India
Publisher Date	2001-01-01
Publisher Institution	Indian Academy of Sciences
Publisher Place	New Delhi
Access Restriction	One Nation One Subscription (ONOS)
Subject Keyword	Water hydrogen-bonds diffusion orientational relaxation Chemistry/Food Science
Content Type	Text
Resource Type	Article
Subject	Chemistry

Sl.	Authority	Responsibilities	Communication Details
1	Ministry of Education (GoI), Department of Higher Education	Sanctioning Authority	https://www.education.gov.in/ict-initiatives
2	Indian Institute of Technology Kharagpur	Host Institute of the Project: The host institute of the project is responsible for providing infrastructure support and hosting the project	https://www.iitkgp.ac.in
3	National Digital Library of India Office, Indian Institute of Technology Kharagpur	The administrative and infrastructural headquarters of the project	Dr. B. Sutradhar bsutra@ndl.gov.in
4	Project PI / Joint PI	Principal Investigator and Joint Principal Investigators of the project	Dr. B. Sutradhar bsutra@ndl.gov.in Prof. Saswat Chakrabarti will be added soon
5	Website/Portal (Helpdesk)	Queries regarding NDLI and its services	support@ndl.gov.in
6	Contents and Copyright Issues	Queries related to content curation and copyright issues	content@ndl.gov.in
7	National Digital Library of India Club (NDLI Club)	Queries related to NDLI Club formation, support, user awareness program, seminar/symposium, collaboration, social media, promotion, and outreach	clubsupport@ndl.gov.in
8	Digital Preservation Centre (DPC)	Assistance with digitizing and archiving copyright-free printed books	dpc@ndl.gov.in
9	IDR Setup or Support	Queries related to establishment and support of Institutional Digital Repository (IDR) and IDR workshops	idr@ndl.gov.in

Effects of hydrogen-bond environment on single particle and pair dynamics in liquid water

Pair dynamics in liquid water.

Effects of dimethyl sulfoxide on the hydrogen bonding structure and dynamics of aqueous N-methylacetamide solution

Hydrogen bond dynamics and vibrational spectral diffusion in aqueous solution of acetone: A first principles molecular dynamics study$^{#}$

Hydrogen-bond dynamics of water confined in cyclodextrin nanosponges hydrogel

Effect of Hydrogen Bonds on the Vibrational Relaxation and Orientational Relaxation Dynamics of $HN_{3}$ and $N_{3}^{–}$ in Solutions

Hydrogen bond lifetime for water in classic and quantum molecular dynamics

Diffusion of hydrocarbons in confined media: Translational and rotational motion

Lifetimes and the dynamics of hydrogen bonds in liquid water

Effects of hydrogen-bond environment on single particle and pair dynamics in liquid water

Similar Documents

Effects of hydrogen-bond environment on single particle and pair dynamics in liquid water

Pair dynamics in liquid water.

Effects of dimethyl sulfoxide on the hydrogen bonding structure and dynamics of aqueous N-methylacetamide solution

Hydrogen bond dynamics and vibrational spectral diffusion in aqueous solution of acetone: A first principles molecular dynamics study$^{#}$

Hydrogen-bond dynamics of water confined in cyclodextrin nanosponges hydrogel

Effect of Hydrogen Bonds on the Vibrational Relaxation and Orientational Relaxation Dynamics of $HN_{3}$ and $N_{3}^{–}$ in Solutions

Hydrogen bond lifetime for water in classic and quantum molecular dynamics

Diffusion of hydrocarbons in confined media: Translational and rotational motion

Lifetimes and the dynamics of hydrogen bonds in liquid water

Effects of hydrogen-bond environment on single particle and pair dynamics in liquid water