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Related Concept Videos

Porosity and Absorption of Aggregate01:20

Porosity and Absorption of Aggregate

Aggregates contain pores of varying sizes; while some are completely enclosed within the particles, others open onto the surface, allowing water to penetrate. The porosity of aggregates is a major factor contributing to the overall porosity of concrete, given that aggregates constitute about three-quarters of concrete's volume.
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Related Experiment Video

Updated: May 26, 2026

Experimental Study of the Relationship Between Particle Size and Methane Sorption Capacity in Shale
07:23

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Published on: August 2, 2018

Shale Asphaltene Nanostructure and Gas Preservation: A Molecular-Level Structure-Function Relationship and Predictive

Lei Wang1, Shang Gao1, Qi Peng1

  • 1Shanghai Institute of Technology, Shanghai 201418, P. R. China.

ACS Omega
|May 25, 2026
PubMed
Summary
This summary is machine-generated.

Shale asphaltene molecular structure significantly impacts shale gas preservation. High aromaticity and specific functional groups enhance methane adsorption, enabling a new predictive model for gas content based on molecular properties.

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Area of Science:

  • Geochemistry
  • Materials Science
  • Petroleum Engineering

Background:

  • The molecular structure of shale asphaltenes is critical for understanding shale gas adsorption and preservation.
  • Existing methods for assessing shale gas potential often rely on bulk parameters, lacking molecular-level insights.

Purpose of the Study:

  • To elucidate the structure-function relationship between asphaltene nanostructure and shale gas retention.
  • To develop a novel quantitative predictive model for shale gas content based on molecular parameters.

Main Methods:

  • Integration of multitechnique characterization (SEM, XRD, FTIR, XPS, UV, NMR, GPC) with molecular simulations.
  • Validation of molecular models against experimental data (density, XRD spacing, NMR aromaticity).
  • Development of a nanostructure complexity index (NCI).

Main Results:

  • Asphaltenes with high aromaticity, moderate aliphatic content, and limited polar groups (sulfones) show enhanced methane adsorption.
  • Optimized van der Waals (vdW) interactions and pore connectivity are key factors in gas adsorption.
  • A novel predictive model (Y' = -0.235Z1 - 0.198Z2 + 0.127Z3 + 0.342Z4 - 0.186Z5) achieved high accuracy (R² = 0.96, RMSE = 0.12 m³/t).
  • The NCI strongly correlates with gas content (r = 0.89).

Conclusions:

  • Shale asphaltene molecular architecture directly influences shale gas preservation potential.
  • The developed microstructure-based predictive framework offers a molecular-level tool for assessing gas content.
  • This approach moves beyond traditional bulk parameters, providing a more precise evaluation of shale gas preservation.