Computational Study on the Microscopic Adsorption Characteristics of Linear Alkylbenzene Sulfonates with Different Chain Lengths on Anthracite Surface

Effects of Surfactant Charge and Molecular Structure on Wettability Alteration of Calcite: Insights from Molecular Dynamics Simulations

(2021) Jan Kubelka et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Ionic Surfactants at Air/Water and Oil/Water Interfaces: A Comparison Based on Molecular Dynamics Simulations

(2021) Paulina Müller et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Effect of H2O on the Transformation of Sulfur during Demineralized Coal Pyrolysis: Molecular Dynamics Simulation Using ReaxFF

(2021) Min Wang et al.   ENERGY & FUELS

Structural Evolution of High-Rank Coals during Coalification and Graphitization: X-ray Diffraction, Raman Spectroscopy, High-Resolution Transmission Electron Microscopy, and Reactive Force Field Molecular Dynamics Simulation Study

(2021) Shuai Zhang et al.   ENERGY & FUELS

Thermodynamic Analysis of CH4/CO2/N2 Adsorption on Anthracite Coal: Investigated by Molecular Simulation

(2021) Min Hao et al.   ENERGY & FUELS

Mixing of Surfactin, an Anionic Biosurfactant, with Alkylbenzene Sulfonate, a Chemically Synthesized Anionic Surfactant, at the n ‐Decane /Water Interface

(2021) Hong‐Ze Gang et al.   JOURNAL OF SURFACTANTS AND DETERGENTS

Surface Chemical Heterogeneity of Low Rank Coal Characterized by Micro-FTIR and Its Correlation with Hydrophobicity

(2021) Wei Wang et al.   Minerals

Quantitative determination of linear alkylbenzene sulfonate (LAS) concentration and simultaneous power generation in a microbial fuel cell-based biosensor

(2021) Anis Askari et al.   JOURNAL OF CLEANER PRODUCTION

Micellar solubilization of petroleum fractions by heavy alkylbenzene sulfonate surfactant

(2021) Xuezhi Zhao et al.   JOURNAL OF MOLECULAR LIQUIDS

Surface Activity and Performance Properties of Gemini Salts of Linear Alkylbenzene Sulfonate in Aqueous Solution

(2021) George A. Smith et al.   JOURNAL OF SURFACTANTS AND DETERGENTS

Computational Study on Interfacial Interactions between Polymethyl Methacrylate-Based Bone Cement and Hydroxyapatite in Nanoscale

(2021) Hongdeok Kim et al.   Applied Sciences-Basel

Adsorption properties and mechanism of montmorillonite modified by two Gemini surfactants with different chain lengths for three benzotriazole emerging contaminants: Experimental and theoretical study

(2021) Hongling Zhang et al.   APPLIED CLAY SCIENCE

Adsorption properties and aggregation behavior of mixed system of anionic/cation surfactants with different structures

(2021) Ting Zhao et al.   JOURNAL OF MOLECULAR LIQUIDS

Study on a New Type of Composite Powder Explosion Inhibitor Used to Suppress Underground Coal Dust Explosion

(2021) Bo Liu et al.   Applied Sciences-Basel

The Solidification/Stabilization of Wastewater (From a Landfill Leachate) in Specially Designed Binders Based on Coal Ash

(2021) Carmen-Lidia Oproiu et al.   Materials

Microscopic Diffusion Characteristics of Linear Alkylbenzene Sulfonates on the Surface of Anthracite: The Influence of Different Attachment Sites of Benzene Ring in the Backbone

(2021) Xuanlai Chen et al.   Minerals

Study on Adsorption Characteristics of Sulfonate Gemini Surfactant on Lignite Surface

(2021) Xuanlai Chen et al.   Minerals

Atomistic Molecular Dynamics Simulations of Surfactant Induced Wettability Alteration in Crevices of Calcite Nanopores

(2020) Shixun Bai et al.   ENERGY & FUELS

New insight into surface wetting of coal with varying coalification degree: An experimental and molecular dynamics simulation study

(2020) Rui Zhang et al.   APPLIED SURFACE SCIENCE

Experimental and molecular dynamics simulation study on the enhancement of low rank coal flotation by mixed collector

(2020) Lei Zhang et al.   FUEL

Properties of Binary Mixture of Cetyl Diphenyl Ether Disulfonate and Linear Alkylbenzene Sulfonate

(2020) Xiaopeng Wang et al.   TENSIDE SURFACTANTS DETERGENTS

Carrier Flotation of Low-Rank Coal with Polystyrene

(2020) Gen Huang et al.   Minerals

Removal of linear alkylbenzene sulfonate (LAS) by a cetyltrimethylammonium bromide (CTAB)-aided coagulation-filtration process

(2020) Naoyuki Kishimoto et al.   ENVIRONMENTAL TECHNOLOGY

Effects of exposure to anionic surfactants (SDBS and SDS) on nitrogen removal of aerobic denitrifier

(2020) Chao Yin et al.   WATER ENVIRONMENT RESEARCH

Antagonism or synergism? Responses of Hydrocharis dubia (Bl.) Backer to linear alkylbenzene sulfonate, naphthalene and their joint exposure

(2020) Lulu Chai et al.   ECOTOXICOLOGY AND ENVIRONMENTAL SAFETY

Determining the effect of the non-ionic surfactant AEO9 on lignite adsorption and wetting via molecular dynamics (MD) simulation and experiment comparisons

(2020) Mingyue Yuan et al.   FUEL

Interaction and Thermal Stability of Carboxymethyl Cellulose on α-Fe2O3(001) Surface: ReaxFF Molecular Dynamics Simulations Study

(2020) Biswajit Saha et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

Facile Hydrothermal Synthesis of Hierarchical Sodium P Zeolite as a Nonphosphate Detergent Builder

(2020) Esmat Koohsaryan et al.   JOURNAL OF SURFACTANTS AND DETERGENTS

Construction of Molecular Model and Adsorption of Collectors on Bulianta Coal

(2020) He Zhang et al.   MOLECULES

Preparation and Characterization of a Composite Dust Suppressant for Coal Mines

(2020) Hu Jin et al.   Polymers

Hepatotoxicity of the anionic surfactant linear alkylbenzene sulphonate (LAS) in bullfrog tadpoles

(2020) Lilian Franco-Belussi et al.   CHEMOSPHERE

Self-assembly and viscosity changes of binary surfactant solutions: A molecular dynamics study

(2020) Jun Zhou et al.   JOURNAL OF COLLOID AND INTERFACE SCIENCE

Microscopic spreading characteristics of non-polar oil droplet on low rank coal surface: Effects of surfactant pretreatment and oxygen-containing groups

(2020) Lei Zhang et al.   JOURNAL OF MOLECULAR LIQUIDS

Aqueous phase behavior of the PEO-containing non-ionic surfactant C12E6: A molecular dynamics simulation study

(2020) Amali G. Guruge et al.   JOURNAL OF COLLOID AND INTERFACE SCIENCE

Seeded growth of gold nanoparticles in aqueous solution of cationic gemini surfactants with different spacer length: influences of molecular and aggregate structures

(2019) Wentao Wang et al.   JOURNAL OF NANOPARTICLE RESEARCH

Construction of a multi-component molecular model of Fugu coal for ReaxFF-MD pyrolysis simulation

(2019) Mingjie Gao et al.   ENERGY & FUELS

Study on the Adsorption Behavior between an Imidazolium Ionic Liquid and Na-Montmorillonite

(2019) Jingjing Pei et al.   MOLECULES

Antimicrobial Activities of Hydrophobically Modified Poly(Acrylate) Films and Their Complexes with Different Chain Length Cationic Surfactants

(2019) Ioana Cătălina Gîfu et al.   Coatings

Increase in wettability difference between organic and mineral matter to promote low-rank coal flotation by using ultrasonic treatment

(2019) Bao Li et al.   APPLIED SURFACE SCIENCE

Effect of microstructure on electrical property of coal surface

(2019) Xueqiu He et al.   APPLIED SURFACE SCIENCE

Behavior of the SDS/1-butanol and SDS/2-butanol mixtures at the water/n-octane interface through molecular dynamics simulations

(2019) José G. Parra et al.   CHEMICAL PHYSICS

Molecular Behavior of Linear Alkylbenzene Sulfonate in Hydrated Crystal, Tilted Gel, and Liquid Crystal Phases Studied by Molecular Dynamics Simulation

(2019) Kosuke Takeda et al.   LANGMUIR

Molecular Simulation Study on the Effect of Coal Rank and Moisture on CO2/CH4 Competitive Adsorption

(2019) Yang Li et al.   ENERGY & FUELS

Competitive adsorption behavior of hydrocarbon(s)/CO2 mixtures in a double-nanopore system using molecular simulations

(2019) Yueliang Liu et al.   FUEL

Corona discharge plasma-based degradation of simulated residual linear alkylbenzene sulphonate and dodecyl benzene sulfonate surfactants

(2019) T. Lee et al.   International Journal of Environmental Science and Technology

Structural and interfacial properties of the CO2-in-water foams prepared with sodium dodecyl sulfate (SDS): A molecular dynamics simulation study

(2019) José G. Parra et al.   COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS

Construction and Evaluation of a Medium-Rank Coal Molecular Model Using a Hybrid Experimental–Simulation–Theoretical Method

(2019) Jiejing Bian et al.   ENERGY & FUELS

Preparation of Porous Activated Carbons for High Performance Supercapacitors from Taixi Anthracite by Multi-Stage Activation

(2019) Xiao-Ming Yue et al.   MOLECULES

Molecular Assembly of Surfactant Mixtures in Oil-Swollen Micelles: Implications for High Salinity Colloidal Stability

(2019) Hsieh Chen et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Modification of montmorillonite by Gemini surfactants with different chain lengths and its adsorption behavior for methyl orange

(2018) Hua-Ping Ren et al.   APPLIED CLAY SCIENCE

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

(2018) Bao Li et al.   APPLIED SURFACE SCIENCE

Prediction and Characterization of the Microcrystal Structures of Coal with Molecular Simulation

(2018) Xiaomin Ma et al.   ENERGY & FUELS

Molecular Dynamic Simulation of Self- and Transport Diffusion for CO2/CH4/N2 in Low-Rank Coal Vitrinite

(2018) Song Yu et al.   ENERGY & FUELS

Effects of hydrophilic groups of nonionic surfactants on the wettability of lignite surface: Molecular dynamics simulation and experimental study

(2018) Jianying Guo et al.   FUEL

Molecular dynamics simulation of binary betaine and anionic surfactant mixtures at decane - Water interface

(2018) Hong-Yan Cai et al.   JOURNAL OF MOLECULAR LIQUIDS

Molecular Dynamics Study of Hydrophilic Sphalerite (110) Surface as Modified by Normal and Branched Butylthiols

(2018) Monir Hosseini Anvari et al.   LANGMUIR

Molecular dynamics simulations of nonylphenol ethoxylate on the Hatcher model of subbituminous coal surface

(2018) Xiaofang You et al.   POWDER TECHNOLOGY

Influence of surfactants of different nature and chain length on the morphology, thermal stability and sheet resistance of graphene

(2018) Ana M. Díez-Pascual et al.   Soft Matter

Impact of Clay Minerals on the Dewatering of Coal Slurry: An Experimental and Molecular-Simulation Study

(2018) Xiaomin Ma et al.   Minerals

Molecular simulation of the preferential adsorption of CH4 and CO2 in middle-rank coal

(2018) Kui Dong et al.   MOLECULAR SIMULATION

The interaction between diesel and surfactant Triton X-100 and their adsorption on coal surfaces with different degrees of oxidation

(2018) Ziyong Chang et al.   POWDER TECHNOLOGY

Experimental investigation of coal dust wetting ability of anionic surfactants with different structures

(2018) Chaohang Xu et al.   PROCESS SAFETY AND ENVIRONMENTAL PROTECTION

The effect of ethylene oxide groups in dodecyl ethoxyl ethers on low rank coal flotation: An experimental study and simulation

(2018) Bao Li et al.   POWDER TECHNOLOGY

Self-assembly of mixed dodecylamine–dodecanol molecules at the air/water interface based on large-scale molecular dynamics

(2018) Li Wang et al.   JOURNAL OF MOLECULAR LIQUIDS

Enhancement of the surface hydrophobicity of low-rank coal by adsorbing DTAB: An experimental and molecular dynamics simulation study

(2018) Yangchao Xia et al.   FUEL

Decrease of hydrophilicity of lignite using CTAB: Effects of adsorption differences of surfactant onto mineral composition and functional groups

(2017) Xiaoyang Liu et al.   FUEL

Wettability modification of Wender lignite by adsorption of dodecyl poly ethoxylated surfactants with different degree of ethoxylation: A molecular dynamics simulation study

(2017) Lei Zhang et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

Synergistic adsorption of DDA/alcohol mixtures at the air/water interface: A molecular dynamics simulation

(2017) Li Wang et al.   JOURNAL OF MOLECULAR LIQUIDS

Characterizing the impact of surfactant structure on interfacial tension: a molecular dynamics study

(2017) Zi-Yu Liu et al.   JOURNAL OF MOLECULAR MODELING

Micromechanism of coal dust wettability and its effect on the selection and development of dust suppressants

(2017) Qingguo Yao et al.   PROCESS SAFETY AND ENVIRONMENTAL PROTECTION

Discovery of a Novel Cationic Surfactant: Tributyltetradecyl-Phosphonium Chloride for Iron Ore Flotation: From Prediction to Experimental Verification

(2017) Pan Chen et al.   Minerals

Wettability of coal pitch surface by aqueous solutions of cationic Gemini surfactants

(2016) Honghong Chang et al.   COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS

An Investigation of Reverse Flotation Separation of Sericite from Graphite by Using a Surfactant: MF

(2016) Yangshuai Qiu et al.   Minerals

Equilibrium and dynamic surface tension properties of salt-free catanionic surfactants with different hydrocarbon chain lengths

(2015) Yajie Jiang et al.   JOURNAL OF MOLECULAR LIQUIDS

Adsorption of collectors on model surface of Wiser bituminous coal: A molecular dynamics simulation study

(2015) Zhiqiang Zhang et al.   MINERALS ENGINEERING

Molecular dynamics simulations of negatively charged DPPC/DPPI lipid bilayers at two levels of resolution

(2015) T.B. Stanishneva-Konovalova et al.   Computational and Theoretical Chemistry

Understanding the Structure of Hydrophobic Surfactants at the Air/Water Interface from Molecular Level

(2014) Li Zhang et al.   LANGMUIR

Porous nano-structured VO2 films with different surfactants: synthesis mechanisms, characterization, and applications

(2013) Yuanjie Xu et al.   JOURNAL OF MATERIALS SCIENCE-MATERIALS IN ELECTRONICS

Effect of surfactant headgroups on the oil/water interface: An interfacial tension measurement and simulation study

(2013) Jiafang Xu et al.   JOURNAL OF MOLECULAR STRUCTURE

Mechanism of Oil Detachment from a Silica Surface in Aqueous Surfactant Solutions: Molecular Dynamics Simulations

(2012) Qian Liu et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Synthesis and Surface Properties Study of a Series of Cationic Surfactants with Different Hydrophobic Chain Lengths

(2012) Leila Badache et al.   JOURNAL OF SURFACTANTS AND DETERGENTS

Effect of Na+, Mg2+, and Zn2+ chlorides on the structural and thermodynamic properties of water/n-heptane interfaces

(2011) Francisco Rodríguez-Ropero et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Molecular Dynamics Study of the Effect of Calcium Ions on the Monolayer of SDC and SDSn Surfactants at the Vapor/Liquid Interface

(2011) Hui Yan et al.   LANGMUIR

Crystallization of alkane melts induced by carbon nanotubes and graphene nanosheets: a molecular dynamics simulation study

(2011) Jun-Sheng Yang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Structural properties of hydroxyl-substituted alkyl benzenesulfonates at the water/vapor and water/decane interfaces

(2011) HuanQuan Sun et al.   Science China-Chemistry

Paramaterization of a coarse-grained model for linear alkylbenzene sulfonate surfactants and molecular dynamics studies of their self-assembly in aqueous solution

(2010) Xibing He et al.   CHEMICAL PHYSICS LETTERS

Hydrophobization of bovine serum albumin with cationic surfactants with different hydrophobic chain length

(2010) Robert Kun et al.   COLLOIDS AND SURFACES B-BIOINTERFACES

Atomistic Simulation Study of Linear Alkylbenzene Sulfonates at the Water/Air Interface

(2010) Xibing He et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Molecular Dynamics Study of Alkyl Benzene Sulfonate at Air/Water Interface: Effect of Inorganic Salts

(2010) Taotao Zhao et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Mixed micelle formation with phosphatidylcholines: The influence of surfactants with different molecule structures

(2009) Christopher Rupp et al.   INTERNATIONAL JOURNAL OF PHARMACEUTICS