Literature DB >> 32534518

How different are the dynamics of nanoconfined water?

Sayantan Mondal1, Biman Bagchi1.   

Abstract

We unravel the combined effects of confinement and surface interactions by studying the position dependent, time-resolved dynamic response functions in nano-containers of different shapes. Spectroscopic signatures are additionally studied through solvation dynamics by placing ionic and dipolar probes at varying distances from the enclosing surface. We find that the confined water molecules exhibit exotic dynamical features and stark differences from that in the bulk liquid. We employ atomistic molecular dynamics simulation to obtain the solvation time correlation function, non-Gaussian parameter, and non-linear response function that reveal the existence of heterogeneous and non-exponential dynamics with a strong sensitivity to both the size and the shape of the enclosure. Importantly, the slower long-time decay constant exhibits a non-monotonic spatial dependence. The initial ultrafast component is reminiscent of the same in the bulk, but it is found to have a different origin in the present systems. We perform shell-wise analyses to understand the microscopic origin of these observations and the range of the propagation of the surface induced effects.

Entities:  

Year:  2020        PMID: 32534518     DOI: 10.1063/5.0010613

Source DB:  PubMed          Journal:  J Chem Phys        ISSN: 0021-9606            Impact factor:   3.488


  1 in total

1.  Comment on "investigation of dielectric constants of water in a nano-confined pore" by H. Zhu, F. Yang, Y. Zhu, A. Li, W. He, J. Huang and G. Li, RSC Adv., 2020, 10, 8628.

Authors:  Sayantan Mondal; Biman Bagchi
Journal:  RSC Adv       Date:  2021-01-28       Impact factor: 3.361

  1 in total

北京卡尤迪生物科技股份有限公司 © 2022-2023.