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All papers authored by Xiandong Liu

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2024 Yingchun Zhang

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, Xiandong Liu

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, Adri C. T. van Duin

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, Evert Jan Meijer

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Development and validation of a general-purpose ReaxFF reactive force field for earth material modeling

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Mengzi Zhou

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, Xiandong Liu

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, Yingchun Zhang

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, Xiaoyu Zhang, Kai Wang

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Ab Initio Molecular Dynamics Simulations and Vibrational Frequency Calculations of Species in Liquid-Liquid Phase Separated MgSO4 Solution at 543 K

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Yingchun Zhang

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, Xiandong Liu

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, Xiancai Lu, Rucheng Wang

Understanding the unique geochemical behavior of Sc in the interaction with clay minerals

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2023 Xiangjie Cui, Huan Liu, Xiancai Lu, Juan Li, Jiani Chen, Ting-Shan Chan, Xiandong Liu

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, Rucheng Wang

Nucleation of Th-rich cerianite on halloysite surface in a regolith-hosted rare earth elements deposit in South China

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2022 Yingchun Zhang

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, Xiandong Liu

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Acidity and metal complexation of edge surface of birnessite-type MnO₂: Insight from first principles simulations

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Xiandong Liu

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, Christophe Tournassat

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, Sylvain Grangeon

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, Andrey G. Kalinichev

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, Yoshio Takahashi

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, Maria Marques Fernandes

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Molecular-level understanding of metal ion retention in clay-rich materials

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Ahmed Abdelmonem

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, Yingchun Zhang

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, Björn Braunschweig

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, Dana Glikman, Armin Rumpel, Wolfgang Peukert

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, Tajana Begović

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, Xiandong Liu

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, Johannes Lützenkirchen

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Adsorption of CTAB on Sapphire-c at High pH: Surface and Zeta Potential Measurements Combined with Sum-Frequency and Second-Harmonic Generation

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2021 Yingchun Zhang

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, Xiandong Liu

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Surface Acidity and As(V) Complexation of Iron Oxyhydroxides: Insights from First-Principles Molecular Dynamics Simulations

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Yingchun Zhang

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, Xiandong Liu

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, Jun Cheng, Xiancai Lu

Interfacial structures and acidity constants of goethite from first-principles Molecular Dynamics simulations

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2020 Lihu Zhang

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, Xiancai Lu, Xiandong Liu

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, Qin Li, Yongxian Cheng, Qingfeng Hou

Molecular dynamics simulation of CO2-switchable surfactant regulated reversible emulsification/demulsification processes of a dodecane–saline system

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2019 Chi Zhang

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, Xiandong Liu

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, Evert Jan Meijer

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, Rucheng Wang

Understanding the Heterogeneous Nucleation of Heavy Metal Phyllosilicates on Clay Edges with First-Principles Molecular Dynamics

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Lihu Zhang, Xiancai Lu

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, Xiandong Liu

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, Qin Li, Yongxian Cheng, Qingfeng Hou, Jingong Cai

Distribution and Mobility of Crude Oil–Brine in Clay Mesopores: Insights from Molecular Dynamics Simulations

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2018 Chi Zhang

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, Xiandong Liu

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, Ruth M. Tinnacher, Christophe Tournassat

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Mechanistic Understanding of Uranyl Ion Complexation on Montmorillonite Edges: A Combined First-Principles Molecular Dynamics–Surface Complexation Modeling Approach

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Mengjia He, Xiandong Liu

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, Rucheng Wang

Uranyl Arsenate Complexes in Aqueous Solution: Insights from First-Principles Molecular Dynamics Simulations

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2017 Xiandong Liu

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, Xiancai Lu, Yingchun Zhang

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, Rucheng Wang

Complexation of carboxylate on smectite surfaces

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