Kaihang Shi

Works (9)

Updated: July 5th, 2023 15:34

2023 journal article

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

JOURNAL OF CHEMICAL PHYSICS, 158(4).

By: K. Shi n, E. Smith *, E. Santiso n  & K. Gubbins n 

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Sources: Web Of Science, NC State University Libraries
Added: March 13, 2023

2021 journal article

Can we define a unique microscopic pressure in inhomogeneous fluids?

JOURNAL OF CHEMICAL PHYSICS, 154(8).

By: K. Shi n, E. Santiso n  & K. Gubbins n 

TL;DR: The coarse-grained in-layer and in-pore tangential pressures are determined for Lennard-Jones argon adsorbed in realistic carbon slit pores, providing a better understanding of the pressure enhancement for strongly wetting systems. (via Semantic Scholar)
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Added: March 29, 2021

2020 journal article

Conformal Sites Theory for Adsorbed Films on Energetically Heterogeneous Surfaces

LANGMUIR, 36(7), 1822–1838.

By: K. Shi n, E. Santiso n  & K. Gubbins n 

TL;DR: Simulation results indicate that the conformal sites theory works well with typical asymmetry of the potential parameters in the force field, however, care should be taken when applying the theory to strongly associating fluids, and in the low-pressure region where the active surface sites play an important role. (via Semantic Scholar)
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Added: March 23, 2020

2020 journal article

Microscopic Pressure Tensor in Cylindrical Geometry: Pressure of Water in a Carbon Nanotube

JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 16(9), 5548–5561.

By: K. Shi n, Y. Shen *, E. Santiso n  & K. Gubbins n 

TL;DR: A Harasima/Ewald (H/E) method for calculating the long-range Coulombic contribution to the local axial pressure for rigid molecules is developed, and an alternative contour definition that is more appropriate for cylindrical geometry is proposed, which leads to physically realistic results for all three pressure tensor components. (via Semantic Scholar)
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Added: October 5, 2020

2020 journal article

Modified gaphene oxide (GO) particles in peptide hydrogels: a hybrid system enabling scheduled delivery of synergistic combinations of chemotherapeutics

JOURNAL OF MATERIALS CHEMISTRY B, 8(17), 3852–3868.

By: J. Schneible n, K. Shi n, A. Young n, S. Ramesh n, N. He*, C. Dowdey n, J. Dubnansky n, R. Libya ...

MeSH headings : Antibiotics, Antineoplastic / chemistry; Antibiotics, Antineoplastic / pharmacology; Cell Proliferation / drug effects; Cell Survival / drug effects; Doxorubicin / chemistry; Doxorubicin / pharmacology; Drug Delivery Systems; Drug Screening Assays, Antitumor; Graphite / chemistry; Humans; Hydrogels / chemistry; Molecular Dynamics Simulation; Particle Size; Peptides / chemistry; Surface Properties; Tumor Cells, Cultured
TL;DR: A homogeneous composite comprising modified graphene oxide (GO) nanoparticles embedded in a Max8 peptide hydrogel, which provides controlled kinetics and molar ratios of release of doxorubicin (DOX) and gemcitabine (GEM) and is tested against a triple negative breast cancer cell line. (via Semantic Scholar)
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Sources: Web Of Science, NC State University Libraries
Added: June 1, 2020

2020 article

Reply to the 'Comment on "Pressure enhancement in carbon nanopores: a major confinement effect"' by D. van Dijk, Phys. Chem. Chem. Phys., 2020, 22, DOI: 10.1039/C9CP02890K

Long, Y., Palmer, J. C., Coasne, B., Shi, K., Sliwinska-Bartkowiak, M., & Gubbins, K. E. (2020, May 7). PHYSICAL CHEMISTRY CHEMICAL PHYSICS, Vol. 22, pp. 9826–9830.

By: Y. Long n, J. Palmer*, B. Coasne*, K. Shi n, M. Sliwinska-Bartkowiak * & K. Gubbins n 

TL;DR: This paper replies to comments on the local pressure at a point r in an inhomogeneous thermodynamic system, and discusses other possible ways to quantify the adsorption compression effect near an attractive wall. (via Semantic Scholar)
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Added: June 1, 2020

2020 journal article

The Young-Laplace equation for a solid-liquid interface

JOURNAL OF CHEMICAL PHYSICS, 153(19).

By: P. Hijes *, K. Shi n, E. Noya *, E. Santiso n , K. Gubbins n , E. Sanz*, C. Vega *

TL;DR: It is shown that in a Gibbsian description of the thermodynamics of a curved solid-liquid interface in equilibrium, the choice of theThermodynamic (rather than mechanical) pressure is required, as suggested by Tolman for the liquid-gas scenario. (via Semantic Scholar)
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Added: February 22, 2021

2019 journal article

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

APPLIED SURFACE SCIENCE, 508.

By: C. Cutright n, Z. Brotherton  n, L. Alexander n, J. Harris n, K. Shi n, S. Khan n , J. Genzer n , S. Menegatti n 

author keywords: Stimuli-responsive microgels; Self-assembled monolayers; Spin coating; Particle interactions; Particle packing
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Sources: Web Of Science, NC State University Libraries
Added: April 14, 2020

2018 journal article

Surface-Driven High-Pressure Processing

ENGINEERING, 4(3), 311–320.

By: K. Gubbins n , K. Gu *, L. Huang *, Y. Long *, J. Mansell  n, E. Santiso n , K. Shi n, M. Sliwinska-Bartkowiak *, D. Srivastava  n

author keywords: Confinement; High pressure; High pressure phase; High pressure reaction; High pressure manufacture; High pressure chemical processing
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Sources: Web Of Science, NC State University Libraries
Added: August 6, 2018

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