相关参考文献
注意：仅列出部分参考文献，下载原文获取全部文献信息。Understanding the flocculation mechanism of quartz and kaolinite with polyacrylamide in seawater: A molecular dynamics approach
Gonzalo R. Quezada et al.
COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS (2021)
Molecular dynamics simulations of the conformation and diffusion of partially hydrolyzed polyacrylamide in highly saline solutions
Gonzalo R. Quezada et al.
CHEMICAL ENGINEERING SCIENCE (2020)
Structure of the Interface between Lithium-Rich Spodumene and Saltwater by Density Functional Theory Calculations and Molecular Dynamics Simulations
Gonzalo R. Quezada et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2020)
Structure of Hydrated Kaolinite Edge Surfaces: DFT Results and Further Development of the ClayFF Classical Force Field with Metal-O-H Angle Bending Terms
Maxime Pouvreau et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2019)
Oxalic Acid Adsorption on Rutile: Molecular Dynamics and ab Initio Calculations
Denys Biriukov et al.
LANGMUIR (2019)
Mechanisms of 1,4-Dioxane Biodegradation and Adsorption by Bio-Zeolite in the Presence of Chlorinated Solvents: Experimental and Molecular Dynamics Simulation Studies
Yun Liu et al.
ENVIRONMENTAL SCIENCE & TECHNOLOGY (2019)
Zeta potential and viscosity of colloidal silica suspensions: Effect of seawater salts, pH, flocculant, and shear rate
Cristian P. Romero et al.
COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS (2018)
Mechanistic Understanding of Uranyl Ion Complexation on Montmorillonite Edges: A Combined First-Principles Molecular Dynamics-Surface Complexation Modeling Approach
Chi Zhang et al.
ENVIRONMENTAL SCIENCE & TECHNOLOGY (2018)
Use of molecular dynamics to study the conformation of an anionic polyelectrolyte in saline medium and its adsorption on a quartz surface
Gonzalo R. Quezada et al.
MINERALS ENGINEERING (2018)
Viscoelastic behaviour of flocculated silica sediments in concentrated monovalent chloride salt solutions
Gonzalo Quezada et al.
MINERALS ENGINEERING (2017)
Viscoelasticity and yielding properties of flocculated kaolinite sediments in saline water
R. I. Jeldres et al.
COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS (2017)
A non-linear viscoelastic model for sediments flocculated in the presence of seawater salts
Christian Goni et al.
COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS (2015)
Systematic Parameterization of Monovalent Ions Employing the Nonbonded Model
Pengfei Li et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2015)
Computer Simulations of Quartz (101)-Water Interface over a Range of pH Values
O. Kroutil et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2015)
Molecular and Surface Interactions between Polymer Flocculant Chitosan-g-polyacrylamide and Kaolinite Particles: Impact of Salinity
Shanshan Wang et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2015)
Investigation of dodecylammonium adsorption on mica, albite and quartz surfaces by QM/MM simulation
Zhen Liu et al.
MOLECULAR PHYSICS (2015)
Adsorption of polyelectrolytes to like-charged substrates induced by multivalent counterions as exemplified by poly(styrene sulfonate) and silica
Alberto Tiraferri et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2015)
Force Field and a Surface Model Database for Silica to Simulate Interfacial Properties in Atomic Resolution
Fateme S. Emami et al.
CHEMISTRY OF MATERIALS (2014)
Impact of seawater salts on the viscoelastic behavior of flocculated mineral suspensions
Ricardo I. Jeldres et al.
COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS (2014)
Density functional theory simulation of hydrogen-bonding structure and vibrational densities of states at the quartz (101)-water interface and its relation to dissolution as a function of solution pH and ionic strength
M. J. DelloStritto et al.
JOURNAL OF PHYSICS-CONDENSED MATTER (2014)
Structure of Water at Charged Interfaces: A Molecular Dynamics Study
Shalaka Dewan et al.
LANGMUIR (2014)
Adsorption of β-D-glucose and cellobiose on kaolinite surfaces: Density functional theory (DFT) approach
Seung Geol Lee et al.
APPLIED CLAY SCIENCE (2013)
Effect of solution salinity on settling of mineral tailings by polymer flocculants
Yaguan Ji et al.
COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS (2013)
Modeling Sorption and Diffusion of Organic Sorbate in Hexadecyltrimethylammonium-Modified Clay Nanopores - A Molecular Dynamics Simulation Study
Qian Zhao et al.
ENVIRONMENTAL SCIENCE & TECHNOLOGY (2013)
Rational Design of Particle Mesh Ewald Compatible Lennard-Jones Parameters for +2 Metal Cations in Explicit Solvent
Pengfei Li et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2013)
Ionic supramolecular bonds preserve mechanical properties and enable synergetic performance at high humidity in water-borne, self-assembled nacre-mimetics
Paramita Das et al.
NANOSCALE (2013)
Molecular Dynamics Simulation of Secondary Sorption Behavior of Montmorillonite Modified by Single Chain Quaternary Ammonium Cations
Qian Zhao et al.
ENVIRONMENTAL SCIENCE & TECHNOLOGY (2012)
Coarse-grained molecular dynamics simulation of self-assembly of polyacrylamide and sodium dodecylsulfate in aqueous solution
Hua Wang et al.
JOURNAL OF COLLOID AND INTERFACE SCIENCE (2012)
Experimental and theoretical study of dilute polyacrylamide solutions: effect of salt concentration
Panke Chen et al.
JOURNAL OF MOLECULAR MODELING (2012)
Ab initio derived force-field parameters for molecular dynamics simulations of deprotonated amorphous-SiO2/water interfaces
Anke Butenuth et al.
PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS (2012)
Effect of solvent quality on the polymer adsorption from bulk solution onto planar surfaces
Per Linse
SOFT MATTER (2012)
Adsorption and flocculation by polymers and polymer mixtures
John Gregory et al.
ADVANCES IN COLLOID AND INTERFACE SCIENCE (2011)
Adsorption of Weak Polyelectrolytes on Charged Nanoparticles. Impact of Salt Valency, pH, and Nanoparticle Charge Density. Monte Carlo Simulations
Fabrice Carnal et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2011)
Simulations of the Quartz(10(1)over-bar1)/Water Interface: A Comparison of Classical Force Fields, Ab Initio Molecular Dynamics, and X-ray Reflectivity Experiments
A. A. Skelton et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2011)
Calcium Mediated Polyelectrolyte Adsorption on Like-Charged Surfaces
Martin Turesson et al.
LANGMUIR (2011)
Probing the Molecular Mechanisms of Quartz-Binding Peptides
Ersin Emre Oren et al.
LANGMUIR (2010)
Pre-treatment of hospital wastewater by coagulation-flocculation and flotation
Sonia Suarez et al.
BIORESOURCE TECHNOLOGY (2009)
Dynamic Behavior of Interfacial Water at the Silica Surface
Dimitrios Argyris et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2009)
Molecular Dynamics Studies of the Interactions of Water and Amino Acid Analogues with Quartz Surfaces
Rebecca Notman et al.
LANGMUIR (2009)
Polypeptide friction and adhesion on hydrophobic and hydrophilic surfaces: A molecular dynamics case study
Andreas Serr et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2008)
Sodium polyacrylate adsorption onto anionic and cationic silica in the presence of salts
Charlie Flood et al.
LANGMUIR (2007)
Molecular dynamics simulations of polyelectrolyte adsorption
Jan-Michael Y. Carrillo et al.
LANGMUIR (2007)
Canonical sampling through velocity rescaling
Giovanni Bussi et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Polynucleotide adsorption to negatively charged surfaces in divalent salt solutions
H Cheng et al.
BIOPHYSICAL JOURNAL (2006)
Exploring the helix-coil transition via all-atom equilibrium ensemble simulations
EJ Sorin et al.
BIOPHYSICAL JOURNAL (2005)
Molecular simulation to characterize the adsorption behavior of a fibrinogen γ-chain fragment
M Agashe et al.
LANGMUIR (2005)
Molecular models of hydroxide, oxyhydroxide, and clay phases and the development of a general force field
RT Cygan et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2004)
Adsorption of cationic, anionic and hydrophobically modified polyacrylamides on silica surfaces
Y Samoshina et al.
COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS (2003)
PAA/PEO comb polymer effects on rheological properties and interparticle forces in aqueous silica suspensions
CP Whitby et al.
JOURNAL OF COLLOID AND INTERFACE SCIENCE (2003)
Removal of pharmaceuticals during drinking water treatment
TA Ternes et al.
ENVIRONMENTAL SCIENCE & TECHNOLOGY (2002)
Structures of quartz (10(1)over-bar-0)- and (10(1)over-bar-1)-water interfaces determined by X-ray reflectivity and atomic force microscopy of natural growth surfaces
ML Schlegel et al.
GEOCHIMICA ET COSMOCHIMICA ACTA (2002)
Zeta potentials and yield stresses of silica suspensions in concentrated monovalent electrolytes: Isoelectric point shift and additional attraction
GV Franks
JOURNAL OF COLLOID AND INTERFACE SCIENCE (2002)
Polyelectrolyte adsorption on heterogeneously charged surfaces
M Ellis et al.
JOURNAL OF CHEMICAL PHYSICS (2000)
分享论文
