InterPore2025

Session

MS13

20 May 2025, 14:05

204. BlueMat: Water-Driven Nanoporous Materials

Prof. Patrick Huber (Hamburg University of Technology and Deutsches Elektronen-Synchrotron DESY)

20/05/2025, 14:05

(MS13) Fluids in Nanoporous Media

Oral Presentation

The exquisite diversity and functionality of biological materials is truly remarkable, especially since they are composed of a small set of abundant chemical elements. While engineering materials primarily require specific, often unsustainable, chemical compositions to realize their functions, nature achieves unparalleled functionality through optimized architectures that span multiple length...

46. Tuning the wetting properties of micro- and meso-porous carbons: nanoscale insights from time-resolved synchrotron SAXS

François Chaltin (Université de Liège)

20/05/2025, 14:20

(MS13) Fluids in Nanoporous Media

Oral Presentation

In many applications, such as catalysis, electrochemistry or fuel cell, the performance of nanoporous materials hinges on their ability to retain or repel liquid within their porous structure. A critical challenge in these applications is determining whether this liquid distribution is uniform or whether certain pores remain inaccessible. Macroscale wetting phenomena are well-explained by...

170. Bound water transport by diffusion in wood revealed by Nuclear Magnetic Resonance

Luoyi Yan (École nationale des ponts et chaussées; Laboratoire Navier,)

20/05/2025, 14:35

(MS13) Fluids in Nanoporous Media

Oral Presentation

Wood's unique combination of low density, high strength and stiffness, low thermal and electrical conductivity makes it versatile across diverse fields such as construction, furniture making, woodcarving, tooling, sculpture, boat building, along with production of cellulose fibers and paper. However, as a hygroscopic material, the water content and transport within wood strongly affect the...

152. Micro-occurrence of gas and water in shale nanopores

Mengdi Sun (Northeast Petroleum University)

20/05/2025, 14:50

(MS13) Fluids in Nanoporous Media

Oral Presentation

The micro-occurrence of gas and water in shale nanopores under reservoir conditions, as well as the changes in their distribution following the infiltration of fracturing fluids, are critical for understanding the behavior and flow dynamics of gas and water during shale gas extraction. Small-angle and ultra-small-angle neutron scattering (SANS/USANS) experiments conducted under high-pressure...

120. Microscopic Origin of Hysteresis in CH4 Sorption-Induced Deformed Coal Matrix: Insights from Stepwise Hybrid GCMC/MD Simulations

Zhehui Jin (University of Alberta)

21/05/2025, 11:35

(MS13) Fluids in Nanoporous Media

Oral Presentation

CH4 sorption hysteresis is pivotal for predicting coalbed methane (CBM) production, yet its driving factor––the coupling of gas sorption and coal deformation—remains incompletely understood. Here, we use a stepwise hybrid grand canonical Monte Carlo/molecular dynamics (GCMC/MD) simulation technique to track continuous CH4 adsorption and desorption in a deformable coal matrix. Both matrix...

387. Experimental investigations of H2, He, CH4 and CO2 adsorption, wettability and geomechanics on kerogen at geo-storage conditions

Prof. Bin Pan (China University of Petroleum (Beijing))

21/05/2025, 11:50

(MS13) Fluids in Nanoporous Media

Oral Presentation

Kerogen is the most abundant form of organic matter in the subsurface and its properties of adsorption, wettability and geomechanics affect gas (H2, He, CH4 and CO2) geo-storage (GGS) capacity and leakage risk. However, a systematically experimental investigation of these three properties at in-situ GGS conditions is lacking and thus large uncertainties exists in evaluating the impact of...

438. Electrosorption-induced deformation of microporous carbons: molecular dynamics and mean-field theory

Andrei Kolesnikov (Department of Chemical and Materials Engineering, New Jersey Institute of Technology, University Heights, Newark, NJ 07102, USA)

21/05/2025, 12:05

(MS13) Fluids in Nanoporous Media

Oral Presentation

Nanoporous carbons play an important role in different electrochemical applications and, in particular, are widely used as porous electrodes in super-capacitors. Ions in aqueous electrolytes form the electrical double layer on the charged electrode-solution boundary, which can lead to a complex physical picture in nanosized pores. In this work, using molecular dynamic simulations and the...

228. A novel DFT for associating fluids confined in nanopores and its application to water

Antoine Barthes (Universite de Pau et de Pays de l’Adour, E2S UPPA, CNRS, LFCR, Anglet, France)

21/05/2025, 12:50

(MS13) Fluids in Nanoporous Media

Oral Presentation

A new free-energy functional is first proposed for inhomogeneous associating fluids. The general formulation of Wertheim’s thermodynamic perturbation theory is considered as the starting point of the derivation. We apply the hypotheses of the statistical associating fluid theory (SAFT) in the classical density functional theory (DFT) framework to obtain a tractable expression of the...