Xiandong Liu
0000-0003-3966-3998
15 papers found
Refreshing results…
Development and validation of a general-purpose ReaxFF reactive force field for earth material modeling
Ab Initio Molecular Dynamics Simulations and Vibrational Frequency Calculations of Species in Liquid-Liquid Phase Separated MgSO4 Solution at 543 K
Understanding the unique geochemical behavior of Sc in the interaction with clay minerals
Nucleation of Th-rich cerianite on halloysite surface in a regolith-hosted rare earth elements deposit in South China
Acidity and metal complexation of edge surface of birnessite-type MnO2: Insight from first principles simulations
Molecular-level understanding of metal ion retention in clay-rich materials
Adsorption of CTAB on Sapphire-c at High pH: Surface and Zeta Potential Measurements Combined with Sum-Frequency and Second-Harmonic Generation
Surface Acidity and As(V) Complexation of Iron Oxyhydroxides: Insights from First-Principles Molecular Dynamics Simulations
Interfacial structures and acidity constants of goethite from first-principles Molecular Dynamics simulations
Molecular dynamics simulation of CO2-switchable surfactant regulated reversible emulsification/demulsification processes of a dodecane–saline system
Understanding the Heterogeneous Nucleation of Heavy Metal Phyllosilicates on Clay Edges with First-Principles Molecular Dynamics
Distribution and Mobility of Crude Oil–Brine in Clay Mesopores: Insights from Molecular Dynamics Simulations
Mechanistic Understanding of Uranyl Ion Complexation on Montmorillonite Edges: A Combined First-Principles Molecular Dynamics–Surface Complexation Modeling Approach
Uranyl Arsenate Complexes in Aqueous Solution: Insights from First-Principles Molecular Dynamics Simulations
Complexation of carboxylate on smectite surfaces
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