Effects of defects and impurities on the adsorption of H2O on smithsonite (101) surfaces: Insight from DFT-D and MD

Hydration mechanisms of scheelite from adsorption isotherms and ab initio molecular dynamics simulations

(2021) Y. Foucaud et al.   APPLIED SURFACE SCIENCE

Experimental and molecular dynamics simulation study on the effect of polyacrylamide on bauxite flotation

(2021) Ziyong Chang et al.   MINERALS ENGINEERING

Steric hindrance effect on adsorption of xanthate on sphalerite surface: A DFT study

(2021) Ye Chen et al.   MINERALS ENGINEERING

The effect of surface vacancy on adsorption of HS on smithsonite (101) surface: A DFT study

(2021) Yuanjia Luo et al.   COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS

The interaction of flotation reagents with metal ions in mineral surfaces: A perspective from coordination chemistry

(2021) Jianhua Chen   MINERALS ENGINEERING

DFT insights into the sulfidation mechanism of Fe-impurity smithsonite

(2021) Yuanjia Luo et al.   MINERALS ENGINEERING

Adsorption of hydrated [Y(OH)2]+ on kaolinite (001) surface: Insight from DFT simulation

(2021) Tingsheng Qiu et al.   POWDER TECHNOLOGY

Effect of vacancy defects on electronic properties and wettability of coal surface

(2020) Chengyong Wang et al.   APPLIED SURFACE SCIENCE

Interaction between smithsonite and carboxyl collectors with different molecular structure in the presence of water: A theoretical and experimental study

(2020) Meng Liu et al.   APPLIED SURFACE SCIENCE

Selective flotation separation of smithsonite from calcite by application of amino trimethylene phosphonic acid as depressant

(2020) Yanfei Chen et al.   APPLIED SURFACE SCIENCE

DFT simulations of pyrite galvanic interactions with bulk, solid-solution and nanoparticle Au occurrences – Insights into gold cyanidation

(2020) Dariush Azizi et al.   MINERALS ENGINEERING

Studying interactions between undecane and graphite surfaces by chemical force microscopy and molecular dynamics simulations

(2020) Yangchao Xia et al.   FUEL

Regulating effects of citric acid and pregelatinized starch on selective flocculation flotation of micro-fine siderite

(2020) Lixia Li et al.   JOURNAL OF MOLECULAR LIQUIDS

Adsorption of Mg2+ and K+ on the kaolinite (0 0 1) surface in aqueous system: A combined DFT and AIMD study with an experimental verification

(2020) Zhijun Zhang et al.   APPLIED SURFACE SCIENCE

Paneth Cell Alertness to Pathogens Maintained by Vitamin D Receptors

(2020) Rong Lu et al.   GASTROENTEROLOGY

Polyacrylamide adsorption on (1 0 1) quartz surfaces in saltwater for a range of pH values by molecular dynamics simulations

(2020) Gonzalo R. Quezada et al.   MINERALS ENGINEERING

DFT Simulation on Interaction of H2O Molecules with ZnS and Cu-Activated Surfaces

(2019) Yuqiong Li et al.   Journal of Physical Chemistry C

Adsorption Behavior of Methyl Laurate and Dodecane on the Sub-Bituminous Coal Surface: Molecular Dynamics Simulation and Experimental Study

(2019) He Zhang et al.   Minerals

Mechanism research on surface hydration of kaolinite, insights from DFT and MD simulations

(2019) Jun Chen et al.   APPLIED SURFACE SCIENCE

Molecular Modeling of Interactions between N-(Carboxymethyl)-N-tetradecylglycine and Fluorapatite

(2019) Nan Nan et al.   Minerals

AFM and DFT study of depression of hematite in oleate-starch-hematite flotation system

(2019) Lixia Li et al.   APPLIED SURFACE SCIENCE

DFT study the adsorption of ethyl xanthate on the S-site of Cu-activated sphalerite (1 1 0) surface in the presence of water molecule

(2019) Yong Zeng et al.   Results in Physics

A Theoretical Study on the Electronic Structure and Floatability of Rare Earth Elements (La, Ce, Nd and Y) Bearing Fluorapatite

(2019) Xianchen Wang et al.   Minerals

High coverage H2O adsorption on CuAl2O4 surface: A DFT study

(2019) Liu Shi et al.   APPLIED SURFACE SCIENCE

Flotation separation of smithsonite from calcite using depressant sodium alginate and mixed cationic/anionic collectors

(2019) Yuanjia Luo et al.   COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS

Flotation separation of smithsonite from calcite using a new depressant fenugreek gum

(2019) Yuanjia Luo et al.   COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS

A DFT study on corrosion mechanism of steel bar under water-oxygen interaction

(2019) Zheng Chen et al.   COMPUTATIONAL MATERIALS SCIENCE

Synergistic adsorption of polar and nonpolar reagents on oxygen-containing graphite surfaces: Implications for low-rank coal flotation

(2019) Yangchao Xia et al.   JOURNAL OF COLLOID AND INTERFACE SCIENCE

Surface chemistry features of spodumene with isomorphous substitution

(2019) Guangli Zhu et al.   MINERALS ENGINEERING

Adsorption of alkylamine cations on montmorillonite (001) surface: A density functional theory study

(2018) Chenliang Peng et al.   APPLIED CLAY SCIENCE

Interaction between low rank coal and kaolinite particles: A DFT simulation

(2018) Bao Li et al.   APPLIED SURFACE SCIENCE

The role of S(II) and Pb(II) in xanthate flotation of smithsonite: Surface properties and mechanism

(2018) Kai Jia et al.   APPLIED SURFACE SCIENCE

A density functional based tight binding (DFTB+) study on the sulfidization-amine flotation mechanism of smithsonite

(2018) Ye Chen et al.   APPLIED SURFACE SCIENCE

Surface interactions and flotation behavior of calcite, dolomite and ankerite with alkyl hydroxamic acid bearing collector and sodium silicate

(2018) Dariush Azizi et al.   COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS

DFT+U study on the electronic structures and optical properties of pyrite and marcasite

(2018) Yuqiong Li et al.   COMPUTATIONAL MATERIALS SCIENCE

Characterization of zinc sulfide species on smithsonite surfaces during sulfidation processing: Effect of ammonia liquor

(2018) Shaojun Bai et al.   JOURNAL OF INDUSTRIAL AND ENGINEERING CHEMISTRY

Effects of monohydric alcohols on the flotation of magnesite and dolomite by sodium oleate

(2018) Hao Zhang et al.   JOURNAL OF MOLECULAR LIQUIDS

Promoting sulfidation of smithsonite by zinc sulfide species increase with addition of ammonium chloride and its effect on flotation performance

(2018) Shaojun Bai et al.   MINERALS ENGINEERING

Structural and Electronic Properties of Different Terminations for Quartz (001) Surfaces as Well as Water Molecule Adsorption on It: A First-Principles Study

(2018) Xianchen Wang et al.   Minerals

Surface wettability of montmorillonite (0 0 1) surface as affected by surface charge and exchangeable cations: A molecular dynamic study

(2018) Hao Yi et al.   APPLIED SURFACE SCIENCE

DFT study on the electronic structure and optical properties of N, Al, and N-Al doped graphene

(2018) Xi Zhou et al.   APPLIED SURFACE SCIENCE

Density functional theory study of cyanide adsorption on the sphalerite (110) surface

(2018) Tingsheng Qiu et al.   APPLIED SURFACE SCIENCE

Improving the adsorption of oily collector on the surface of low-rank coal during flotation using a cationic surfactant: An experimental and molecular dynamics simulation study

(2018) Yangchao Xia et al.   FUEL

Flotation separation of smithsonite from quartz using calcium lignosulphonate as a depressant and sodium oleate as a collector

(2018) Cheng Liu et al.   MINERALS ENGINEERING

Wetting characteristics of spodumene surfaces as influenced by collector adsorption

(2018) Guangli Zhu et al.   MINERALS ENGINEERING

Utilization of sodium carbonate to eliminate the adverse effect of Ca2+ on smithsonite sulphidisation flotation

(2018) Yanfei Chen et al.   MINERALS ENGINEERING

The electronic structures of magnesium-bearing anosovite (Mg n Ti 3−n O 5 0 ≤  n  ≤ 1) and its response to flotation

(2017) Yijie Wang et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Formation of zinc sulfide species on smithsonite surfaces and its response to flotation performance

(2017) Qicheng Feng et al.   JOURNAL OF ALLOYS AND COMPOUNDS

A DFT study on the structure–reactivity relationship of aliphatic oxime derivatives as copper chelating agents and malachite flotation collectors

(2017) Xianglin Yang et al.   JOURNAL OF INDUSTRIAL AND ENGINEERING CHEMISTRY

Hydroxamic acid interactions with solvated cerium hydroxides in the flotation of monazite and bastnäsite—Experiments and DFT study

(2016) A. Sarvaramini et al.   APPLIED SURFACE SCIENCE

Collector attachment to lead-activated sphalerite – Experiments and DFT study on pH and solvent effects

(2016) A. Sarvaramini et al.   APPLIED SURFACE SCIENCE

DFT simulation of the adsorption of sodium silicate species on kaolinite surfaces

(2016) Yonghua Han et al.   APPLIED SURFACE SCIENCE

The interaction of cyanide with pyrite, marcasite and pyrrhotite

(2016) Cuihua Zhao et al.   MINERALS ENGINEERING

Density functional theory study of α-Bromolauric acid adsorption on the α-quartz (1 0 1) surface

(2016) Yimin Zhu et al.   MINERALS ENGINEERING

Surface crystal chemistry of spodumene with different size fractions and implications for flotation

(2016) Longhua Xu et al.   SEPARATION AND PURIFICATION TECHNOLOGY

Quantum chemical calculations and molecular dynamics simulations of amine collector adsorption on quartz (0 0 1) surface in the aqueous solution

(2015) An Liu et al.   INTERNATIONAL JOURNAL OF MINERAL PROCESSING

High-fat diet induces cardiac remodelling and dysfunction: assessment of the role played by SIRT3 loss

(2015) Heng Zeng et al.   JOURNAL OF CELLULAR AND MOLECULAR MEDICINE

Influence of Ag, Sb, Bi and Zn impurities on electrochemical and flotation behaviour of galena

(2015) Jianhua Chen et al.   MINERALS ENGINEERING

Effects of Sulfur-Deficient Defect and Water on Rearrangements of Formamide on Pyrite (100) Surface

(2014) Huyen Thi Nguyen et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Density functional calculations of amines on the (101) face of quartz

(2014) Swagat S. Rath et al.   MINERALS ENGINEERING

A DFT study on the structure-reactivity relationship of thiophosphorus acids as flotation collectors with sulfide minerals: Implication of surface adsorption

(2013) Guangyi Liu et al.   COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS

Interactions of xanthate with pyrite and galena surfaces in the presence and absence of oxygen

(2013) Jian-Hua Chen et al.   JOURNAL OF INDUSTRIAL AND ENGINEERING CHEMISTRY

The DFT study of cyclohexyl hydroxamic acid as a collector in scheelite flotation

(2013) Gang Zhao et al.   MINERALS ENGINEERING

DFT study of influences of As, Co and Ni impurities on pyrite (100) surface oxidation by O2 molecule

(2011) Yu-Qiong Li et al.   CHEMICAL PHYSICS LETTERS

Geometrical optimization of xanthate collectors with copper ions and their response to flotation

(2011) B. Bag et al.   MINERALS ENGINEERING

Depression of pyrite in alkaline medium and its subsequent activation by copper

(2011) Yuqiong Li et al.   MINERALS ENGINEERING

Density functional theory study of influence of impurity on electronic properties and reactivity of pyrite

(2011) Yu-qiong LI et al.   TRANSACTIONS OF NONFERROUS METALS SOCIETY OF CHINA

A first-principle study of the effect of vacancy defects and impurities on the adsorption of O2 on sphalerite surfaces

(2010) Jianhua Chen et al.   COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS

The first-principle study of the effect of lattice impurity on adsorption of CN on sphalerite surface

(2010) Ye Chen et al.   MINERALS ENGINEERING

A DFT study on the effect of lattice impurities on the electronic structures and floatability of sphalerite

(2010) Ye Chen et al.   MINERALS ENGINEERING

Effect of vacancy defects on electronic properties and activation of sphalerite (110) surface by first-principles

(2010) Jian-hua CHEN et al.   TRANSACTIONS OF NONFERROUS METALS SOCIETY OF CHINA

Investigation of the effect of N-substituents on performance of thionocarbamates as selective collectors for copper sulfides by ab initio calculations

(2008) Guangyi Liu et al.   MINERALS ENGINEERING