Shuyu Sun

Molecular Insights into Gas Nanofilms Confined Between Bulk Liquid Phases

Yafan Yang, Zufeng Zuo, Xingyu Zhao, Shuyu Sun et autres

Nanometer-thick fluid films play a critical role in confined multiphase processes, yet the thermodynamics and stability of free gas nanofilms remain poorly understood compared with their liquid counterparts. Here, molecular dynamics (MD) simulations are employed to systematically investigate gas nanofilms confined between …

Energy-Stable Decoupling Algorithms for Poroelasticity in Fractured Porous Media

Dongchun Tang, Shuyu Sun, Minfu Feng

cn (code pays fourni par la source)

Interfacial properties of carbon dioxide+brine (mixed salt) systems in the presence of silica

Xinyu Yao, Arun Kumar Narayanan Nair, Mohd Fuad Anwari Che Ruslan, Shuyu Sun et autres

An element-wise self-adapting enriched physics-informed neural network for solving parameter-varying two-phase flow problems in heterogeneous porous media

Jingqi Lin, Xia Yan, K C Zhang, Liming Zhang et autres

cn, mo (code pays fourni par la source)

Resolving Discrepancies in Disjoining Pressure Predictions for Liquid Nanofilms from Molecular Simulations

Yafan Yang, Zufeng Zuo, Jingyu Wan, Shuyu Sun et autres

Literature values of disjoining pressure in liquid nanofilms from different molecular simulation methods show significant discrepancies. We demonstrate that these arise from neglecting long-range dispersion interactions and inconsistent definitions of film thickness in the original Peng method. A key insight is that …

hk, cn (code pays fourni par la source)

Density functional theory studies of amine-based solvents for carbon dioxide capture

Remya Geetha Sadasivan Nair, Arun Kumar Narayanan Nair, Shuyu Sun, Bicheng Yan

sa (code pays fourni par la source)

Numerical Investigation of the Reverse Diffusion in Binary Hydrocarbon Systems at Equilibrium States

Zi Wang, Wenquan Tao, Shuyu Sun

Molecular diffusion is a ubiquitous phenomenon in nature, where the diffusive flux typically aligns with the concentration gradient of species. However, this conventional relationship between diffusive flux and concentration gradient does not always hold, as seen in reverse diffusion, where the flux …

cn (code pays fourni par la source)

Machine learning enabled molecular dynamics-Monte Carlo framework for nanoconfined fluid adsorption

Jie Liu, G Chen, Shengpeng He, Runjing Guan et autres

Nanoconfined fluid is central to many engineering applications such as shale energy production, carbon sequestration, and molecular separations. While classical molecular dynamics (MD) simulation provides essential atomistic detail, its prohibitive computational cost severely limits accessible time and length scales. Hybrid MD-Monte Carlo …

sa, us, cn (code pays fourni par la source)

Resolving Discrepancies in Disjoining Pressure Predictions for Liquid Nanofilms from Molecular Simulations

Yafan Yang, Zufeng Zuo, Jingyu Wan, Shuyu Sun et autres

Literature values of disjoining pressure in liquid nanofilms from different molecular simulation methods show significant discrepancies. We demonstrate that these arise from neglecting long-range dispersion interactions and inconsistent definitions of film thickness in the original Peng method. A key insight is that …

Porous media flow modeling from molecular simulations to pore-network modeling: physics-consistent upscaling of interfacial transport parameters

Jie Liu, Ke Wang, Huaisen Song, Runjing Guan et autres

sa, cn (code pays fourni par la source)

A tutorial review on the fast pore-network extraction for modeling subsurface CO2 sequestration

Tao Zhang, Runjing Guan, Shengpeng He, Jie Liu et autres

Addressing the bottleneck of low efficiency in traditional pore network extraction within CCS dynamic simulation, this paper systematically reviews the evolution of algorithm technology, focusing on elucidating the continuous-space-based pixel-free flashlight searching medial axis algorithm. Through comparative research with SNOW and MAGNET …

cn, sa, ca (code pays fourni par la source)

Thermodynamically Consistent Modeling and Energy Stable Numerical Simulation of Multicomponent Compressible Flow in Poroelastic Media

Jisheng Kou, Amgad Salama, Huangxin Chen, Shuyu Sun

Modeling and numerical simulation of coupled poromechanical problems with multicomponent compressible flow are of particular importance in many fields including shale and natural gas engineering, carbon dioxide sequestration and geotechnical engineering. In this paper, using the second law of thermodynamics, we rigorously …

cn, kz (code pays fourni par la source)