[HTML][HTML] A perspective on the microscopic pressure (stress) tensor: History, current understanding, and future challenges

K Shi, ER Smith, EE Santiso… - The Journal of Chemical …, 2023 - pubs.aip.org
The pressure tensor (equivalent to the negative stress tensor) at both microscopic and
macroscopic levels is fundamental to many aspects of engineering and science, including …

[HTML][HTML] Thermodynamics at microscales: 3D→ 2D, 1D and 0D

K Dong, F Huo, S Zhang - Green Energy & Environment, 2020 - Elsevier
Today, the laws of traditional thermodynamics are facing challenges when science is
growing rapidly toward the microscale-world, even quantum hypothesis. In this work, the …

Microscopic pressure tensor in cylindrical geometry: Pressure of water in a carbon nanotube

K Shi, Y Shen, EE Santiso… - Journal of Chemical …, 2020 - ACS Publications
The microscopic pressure tensor plays an important role in understanding the mechanical
stability, transport, and high-pressure phenomena of confined phases. The lack of an exact …

Packing density, homogeneity, and regularity: Quantitative correlations between topology and thermoresponsive morphology of PNIPAM-co-PAA microgel coatings

C Cutright, Z Brotherton, L Alexander, J Harris… - Applied Surface …, 2020 - Elsevier
This study investigates the formation of monolayers of microgel particles comprising poly [(N-
isopropylacrylamide)-co-(acrylic acid)] on solid substrates, their surface morphology, and …

Comment on “pressure enhancement in carbon nanopores: A major confinement effect” by Y. Long, JC Palmer, B. Coasne, M. Śliwinska-bartkowiak and KE Gubbins …

D van Dijk - Physical Chemistry Chemical Physics, 2020 - pubs.rsc.org
In an article from Phys. Chem. Chem. Phys., 2011, 13, 17163, it is claimed that the
microscopic local pressure is very high in a certain family of physical systems and that this …

Surface-driven high-pressure processing

KE Gubbins, K Gu, L Huang, Y Long, JM Mansell… - Engineering, 2018 - Elsevier
The application of high pressure favors many chemical processes, providing higher yields or
improved rates in chemical reactions and improved solvent power in separation processes …

Nanofluidic manifestations of structure in liquids: A toy model

AZ Patashinski, MA Ratner, R Orlik… - The Journal of Physical …, 2019 - ACS Publications
Interaction with a solid boundary can alter the local order in the liquid near the boundary—
an effect that is of special importance in geometries where these layers of altered structure …

Simulation‐based equations of state for the Lennard‐Jones fluid: Apparent success and hidden failure

NM Alsaifi - AIChE Journal, 2020 - Wiley Online Library
In this work, we utilize concepts from bifurcation theory to pinpoint hidden defects in accurate
multiparameter simulation‐based equations of state for the Lennard‐Jones (LJ) fluid. The …

Molecular dynamics simulations of Lennard-Jones systems confined between suspended nanoscale graphene sheets

N Inui - Physical Review E, 2019 - APS
The distribution of particles interacting with Lennard-Jones potentials and confined between
parallel graphene sheets is investigated by molecular dynamics simulations. For small …

[图书][B] Molecular simulation and theoretical studies of adsorption on heterogeneous surfaces and microscopic pressure tensor in thin adsorbed films

K Shi - 2020 - search.proquest.com
Adsorption on heterogeneous surfaces is ubiquitous in the real world. The complexity of the
heterogeneous surfaces, however, prevents the development of more advanced and …