19–22 May 2026
Europe/Paris timezone

Insights from Monte Carlo Simulations for Phase Diagram Shift of n-Alkane Induced by Nanoconfinement in Shale Formations

21 May 2026, 12:50
15m
Oral Presentation (MS20) Special Session in Honor of Jun Yao MS20

Speaker

yifan li (China University of Petroleum (East China))

Description

In-depth understanding of gas and oil phase behavior in shale nanopores is of significant scientific importance for accurately predicting shale reservoir production. The confinement effects induced by the abundant meso- and nanopores developed in shale formations significantly alter the phase behavior of hydrocarbons. Although numerous studies have focused on the phase transition characteristics of shale gas and short-chain alkanes (carbon chain length <8), systematic research on long-chain alkanes under nano-confinement conditions remains notably insufficient. This study aims to establish a quantitative shrinkage model describing the relationship between n-dodecane phase diagrams and pore diameter, and to elucidate the differential regulatory mechanisms of nanoconfinement on phase equilibria of hydrocarbons with different chain lengths by comparing n-dodecane, n-octane, and methane. Using Gauge Gibbs ensemble Monte Carlo simulation methods, we systematically investigated the vapor-liquid phase equilibrium characteristics of fluids in nanopores. Results indicate that as pore diameter increases, the confinement effect decays exponentially, with fluid thermodynamic properties asymptotically approaching their bulk values. Notably, under equivalent confinement conditions, carbon chain length exhibits a positive correlation with the degree of phase behavior deviation. Long-chain hydrocarbons show more significant alterations in phase transition characteristics. As confinement intensity increases, this chain length-dependent effect is further amplified. The research reveals that carbon chain length is a critical factor in determining the critical parameters of confined hydrocarbons, a conclusion that has important implications for evaluating and predicting hydrocarbon phase behavior in shale oil reservoirs, especially those rich in long-chain hydrocarbon components.

Country mainland of China
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Author

yifan li (China University of Petroleum (East China))

Co-author

Jun Yao (China University of Petroleum)

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