Neutron scattering studies of heterogeneous catalysis

X Yu, Y Cheng, Y Li, F Polo-Garzon, J Liu… - Chemical …, 2023 - ACS Publications
Understanding the structural dynamics/evolution of catalysts and the related surface
chemistry is essential for establishing structure–catalysis relationships, where spectroscopic …

CO2–C4H10 Mixtures Simulated in Silica Slit Pores: Relation between Structure and Dynamics

T Le, A Striolo, DR Cole - The Journal of Physical Chemistry C, 2015 - ACS Publications
Equilibrium molecular dynamics simulations were conducted for pure n-butane and for
mixtures containing n-butane and carbon dioxide confined in 2 nm wide slit-shaped pores …

[图书][B] Small-Angle Scattering from Con Ned and Interfacial Fluids

YB Melnichenko - 2016 - Springer
The phase behavior of bulk fluids is now well understood and their properties can be
predicted accurately using equations of state over a wide range of pressures and …

On the pressure and temperature dependence of adsorption densities and other thermodynamic properties in gas shales

F Xiong, G Rother, D Tomasko, W Pang… - Chemical Engineering …, 2020 - Elsevier
Black shale source rocks have become a key natural gas resource in the US and China.
Unlike in conventional hydrocarbon reservoirs, a significant fraction of the gas in shales is …

Exploring the Conformational Equilibrium of Mefenamic Acid Released from Silica Aerogels via NMR Analysis

I Khodov, V Sobornova, V Mulloyarova, K Belov… - International Journal of …, 2023 - mdpi.com
This study examines the influence of mefenamic acid on the physical and chemical
properties of silica aerogels, as well as its effect on the sorption characteristics of the …

Reexamining supercritical gas adsorption theories in nano-porous shales under geological conditions

F Xiong, G Rother, Y Gong, J Moortgat - Fuel, 2021 - Elsevier
Adsorption is an important phenomenon in surface chemistry, especially for nano-porous
shales. In the shale gas-in-place, adsorbed gas could contribute up to 85%. However …

Molecular structure of adsorbed water phases in silica nanopores

G Rother, S Gautam, T Liu, DR Cole… - The Journal of …, 2022 - ACS Publications
The adsorption of water vapor in silica nanopores with different pore morphologies and
surface hydrophilicities was studied to quantify the densities and thicknesses of the water …

Propane simulated in silica pores: Adsorption isotherms, molecular structure, and mobility

T Le, A Striolo, DR Cole - Chemical Engineering Science, 2015 - Elsevier
Molecular dynamics simulations were conducted for bulk propane in contact with fully
protonated slit-shaped silica pores. The effective pore width was of either 0.8 or 2.7 nm. The …

Role of Confinement on Adsorption and Dynamics of Ethane and an Ethane–CO2 Mixture in Mesoporous CPG Silica

S Patankar, S Gautam, G Rother… - The Journal of …, 2016 - ACS Publications
Ethane is found confined to mineral and organic pores in certain shale formations. Effects of
confinement on structural and dynamic properties of ethane in mesoporous controlled pore …

[HTML][HTML] Structure and dynamics of ethane confined in silica nanopores in the presence of CO2

T Liu, S Gautam, DR Cole, S Patankar… - The Journal of …, 2020 - pubs.aip.org
Fundamental understanding of the subcritical/supercritical behavior of key hydrocarbon
species inside nano-porous matrices at elevated pressure and temperature is less …