Interaction of Natural Organic Matter with Layered Minerals: Recent Developments in Computational Methods at the Nanoscale
出版年份 2014 全文链接
标题
Interaction of Natural Organic Matter with Layered Minerals: Recent Developments in Computational Methods at the Nanoscale
作者
关键词
-
出版物
Minerals
Volume 4, Issue 2, Pages 519-540
出版商
MDPI AG
发表日期
2014-06-06
DOI
10.3390/min4020519
参考文献
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。- Preparation, characterization and adsorption performance of cetyltrimethylammonium modified birnessite
- (2014) Nan-Hui Wang et al. APPLIED SURFACE SCIENCE
- Synchrotron-Based Mass Spectrometry to Investigate the Molecular Properties of Mineral–Organic Associations
- (2013) Suet Yi Liu et al. ANALYTICAL CHEMISTRY
- DOM-Affected Transformation of Contaminants on Mineral Surfaces: A Review
- (2013) Tamara Polubesova et al. CRITICAL REVIEWS IN ENVIRONMENTAL SCIENCE AND TECHNOLOGY
- Enhanced Sampling in Molecular Dynamics Using Metadynamics, Replica-Exchange, and Temperature-Acceleration
- (2013) Cameron Abrams et al. Entropy
- The sorption of organic carbon onto differing clay minerals in the presence and absence of hydrous iron oxide
- (2013) A.R. Saidy et al. GEODERMA
- Electron Exchange and Conduction in Nontronite from First-Principles
- (2013) Vitaly Alexandrov et al. Journal of Physical Chemistry C
- Insights into the Mechanism of Fe(II) Adsorption and Oxidation at Fe–Clay Mineral Surfaces from First-Principles Calculations
- (2013) Vitaly Alexandrov et al. Journal of Physical Chemistry C
- Influence of Surface Chemistry and Charge on Mineral–RNA Interactions
- (2013) Jacob B. Swadling et al. LANGMUIR
- Thermodynamically Consistent Force Fields for the Assembly of Inorganic, Organic, and Biological Nanostructures: The INTERFACE Force Field
- (2013) Hendrik Heinz et al. LANGMUIR
- Capacitance behavior of composites for supercapacitor applications prepared with different durations of graphene/nanoneedle MnO2 reduction
- (2013) Myeongjin Kim et al. MICROELECTRONICS RELIABILITY
- Modelling metal–humic substances–surface systems: reasons for success, failure and possible routes for peace of mind
- (2013) P. E. Reiller MINERALOGICAL MAGAZINE
- Abundant Porewater Mn(III) Is a Major Component of the Sedimentary Redox System
- (2013) A. S. Madison et al. SCIENCE
- Molecular models of birnessite and related hydrated layered minerals
- (2012) R. T. Cygan et al. AMERICAN MINERALOGIST
- DFT+U investigation of the catalytic properties of ferruginous clay
- (2012) D. L. Geatches et al. AMERICAN MINERALOGIST
- Integrated investigations on the adsorption mechanisms of fulvic and humic acids on three clay minerals
- (2012) Lichao Zhang et al. COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS
- Atomic-scale interactions of the interface between chitosan and Fe3O4
- (2012) Linhui Qiang et al. COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS
- Towards an understanding of the role of clay minerals in crude oil formation, migration and accumulation
- (2012) Lin Mei Wu et al. EARTH-SCIENCE REVIEWS
- Sequestration of heavy metals from soil with Fe–Mn concretions and nodules
- (2012) Dionisios Gasparatos Environmental Chemistry Letters
- Stability of free and mineral-protected nucleic acids: Implications for the RNA world
- (2012) Jacob B. Swadling et al. GEOCHIMICA ET COSMOCHIMICA ACTA
- Understanding the trends in transition metal sorption by vacancy sites in birnessite
- (2012) Kideok D. Kwon et al. GEOCHIMICA ET COSMOCHIMICA ACTA
- Alcohol and Thiol Adsorption on (Oxy)hydroxide and Carbon Surfaces: Molecular Dynamics Simulation and Desorption Experiments
- (2012) Jeffery A. Greathouse et al. Journal of Physical Chemistry C
- Monomer Adsorption on Kaolinite: Modeling the Essential Ingredients
- (2012) Dawn L. Geatches et al. Journal of Physical Chemistry C
- Montmorillonite intercalated by conducting polyanilines
- (2012) L. Kulhánková et al. JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS
- Dynamics of Confined Reactive Water in Smectite Clay–Zeolite Composites
- (2012) Michael C. Pitman et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Synthesis, characterization and catalytic activity of birnessite type potassium manganese oxide nanotubes and nanorods
- (2012) Khalid Abdelazez Mohamed Ahmed et al. MATERIALS CHEMISTRY AND PHYSICS
- Preservation of organic matter in sediments promoted by iron
- (2012) Karine Lalonde et al. NATURE
- Unraveling the Complexity of Catalytic Reactions via Kinetic Monte Carlo Simulation: Current Status and Frontiers
- (2012) Michail Stamatakis et al. ACS Catalysis
- Mineral-Aqueous Solution Interfaces and Their Impact on the Environment
- (2012) Gordon E. Brown et al. Geochemical Perspectives
- Effects of crystallization and dopant concentration on the emission behavior of TiO2:Eu nanophosphors
- (2012) Mou Pal et al. Nanoscale Research Letters
- Molecular Dynamics Simulations of Water Molecule-Bridges in Polar Domains of Humic Acids
- (2011) Adelia J. A. Aquino et al. ENVIRONMENTAL SCIENCE & TECHNOLOGY
- Iron reduction in nontronite-type clay minerals: Modelling a complex system
- (2011) D.L. Geatches et al. GEOCHIMICA ET COSMOCHIMICA ACTA
- Molecular modeling of soil organic matter: Squaring the circle?
- (2011) G.E. Schaumann et al. GEODERMA
- Study of solvent effect on the stability of water bridge-linked carboxyl groups in humic acid models
- (2011) Adelia J.A. Aquino et al. GEODERMA
- Density Functional Theory Study of Pyrophyllite and M-Montmorillonites (M = Li, Na, K, Mg, and Ca): Role of Dispersion Interactions
- (2011) Vamsee K. Voora et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Adsorption of phenol and aniline on natural and organically modified montmorillonite: experiment and molecular modelling
- (2011) Petr Praus et al. MOLECULAR SIMULATION
- Adsorption of dissolved organic matter on clay minerals as assessed by infra-red, CPMAS 13C NMR spectroscopy and low field T1 NMR relaxometry
- (2011) Pellegrino Conte et al. ORGANIC GEOCHEMISTRY
- Clay mineral continental amplifier for marine carbon sequestration in a greenhouse ocean
- (2011) M. J. Kennedy et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- Cation-mediated cross-linking in natural organic matter: a review
- (2011) Yamuna Kunhi Mouvenchery et al. REVIEWS IN ENVIRONMENTAL SCIENCE AND BIO-TECHNOLOGY
- Relating Clay Structural Factors to Dioxin Adsorption by Smectites: Molecular Dynamics Simulations
- (2011) Cun Liu et al. SOIL SCIENCE SOCIETY OF AMERICA JOURNAL
- Characterization of humic acid reactivity modifications due to adsorption onto α-Al2O3
- (2011) Noémie Janot et al. WATER RESEARCH
- Natural organic matter removal by coagulation during drinking water treatment: A review
- (2010) Anu Matilainen et al. ADVANCES IN COLLOID AND INTERFACE SCIENCE
- Density Functional Theory (DFT) Study of the Hydration Steps of Na+/Mg2+/Ca2+/Sr2+/Ba2+-Exchanged Montmorillonites
- (2010) Abid Berghout et al. CLAYS AND CLAY MINERALS
- Characterization of humic substances and polyacrylic acid: A high precision conductimetry study
- (2010) Gaëlle M. Roger et al. COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS
- Factors affecting natural organic matter (NOM) and scaling fouling in NF membranes: A review
- (2010) Ahmed Saleh Al-Amoudi DESALINATION
- Mechanisms of nickel sorption by a bacteriogenic birnessite
- (2010) Jasquelin Peña et al. GEOCHIMICA ET COSMOCHIMICA ACTA
- Surface complexation of Pb(II) by hexagonal birnessite nanoparticles
- (2010) Kideok D. Kwon et al. GEOCHIMICA ET COSMOCHIMICA ACTA
- Effects of Ca2+ on supramolecular aggregation of natural organic matter in aqueous solutions: A comparison of molecular modeling approaches
- (2010) Andrey G. Kalinichev et al. GEODERMA
- The functionality of cation bridges for binding polar groups in soil aggregates
- (2010) Adélia J. A. Aquino et al. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
- Role of Clay Minerals in Oil-Forming Reactions
- (2010) Dawn L. Geatches et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Development of a Reactive Force Field for Iron−Oxyhydroxide Systems
- (2010) Masoud Aryanpour et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Reaction of Formic Acid over Amorphous Manganese Oxide Catalytic Systems: An In Situ Study
- (2010) Jason P. Durand et al. Journal of Physical Chemistry C
- Humic acid metal cation interaction studied by spectromicroscopy techniques in combination with quantum chemical calculations
- (2010) M. Plaschke et al. JOURNAL OF SYNCHROTRON RADIATION
- Clay Minerals Mediate Folding and Regioselective Interactions of RNA: A Large-Scale Atomistic Simulation Study
- (2010) Jacob B. Swadling et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Metal Cation Complexation with Natural Organic Matter in Aqueous Solutions: Molecular Dynamics Simulations and Potentials of Mean Force
- (2010) Eugenia Iskrenova-Tchoukova et al. LANGMUIR
- Molecular dynamics computer simulations of the effects of hydrogen bonding on the properties of layered double hydroxides intercalated with organic acids
- (2010) Andrey G. Kalinichev et al. PHILOSOPHICAL MAGAZINE
- Effect of lattice topology on the adsorption of benzyl alcohol on kaolinite surfaces: Quantum chemical calculations of geometry optimization, binding energy, and NMR chemical shielding
- (2009) B. H. Lee et al. AMERICAN MINERALOGIST
- Exploring, Tuning, and Exploiting the Basicity of Hydrotalcites for Applications in Heterogeneous Catalysis
- (2009) Damien P. Debecker et al. CHEMISTRY-A EUROPEAN JOURNAL
- Clay swelling — A challenge in the oilfield
- (2009) R.L. Anderson et al. EARTH-SCIENCE REVIEWS
- On the role of Mn(IV) vacancies in the photoreductive dissolution of hexagonal birnessite
- (2009) Kideok D. Kwon et al. GEOCHIMICA ET COSMOCHIMICA ACTA
- Competitive adsorption of strontium and fulvic acid at the muscovite–solution interface observed with resonant anomalous X-ray reflectivity
- (2009) Sang Soo Lee et al. GEOCHIMICA ET COSMOCHIMICA ACTA
- Hierarchical Multiscale Modelling Scheme from First Principles to Mesoscale
- (2009) Alexander Lyubartsev et al. Journal of Computational and Theoretical Nanoscience
- Recent advances in large-scale atomistic and coarse-grained molecular dynamics simulation of clay minerals
- (2009) James L. Suter et al. JOURNAL OF MATERIALS CHEMISTRY
- Advances in atomistic simulations of mineral surfaces
- (2009) P. Geysermans et al. JOURNAL OF MATERIALS CHEMISTRY
- Determining materials properties of natural composites using molecular simulation
- (2009) Richard L. Anderson et al. JOURNAL OF MATERIALS CHEMISTRY
- Molecular models and simulations of layered materials
- (2009) Randall T. Cygan et al. JOURNAL OF MATERIALS CHEMISTRY
- Mg-Al layered double hydroxide intercalated with porphyrin anions: molecular simulations and experiments
- (2009) Petr Kovář et al. JOURNAL OF MOLECULAR MODELING
- Stabilizing Capacity of Water Bridges in Nanopore Segments of Humic Substances: A Theoretical Investigation
- (2009) Adélia J. A. Aquino et al. Journal of Physical Chemistry C
- The thermodynamic stability of hydrogen bonded and cation bridged complexes of humic acid models—A theoretical study
- (2008) Adelia J.A. Aquino et al. CHEMICAL PHYSICS
- DFT calculation of crystallographic properties of dioctahedral 2:1 phyllosilicates
- (2008) J. Ortega-Castro et al. CLAY MINERALS
- Surface complexes of acetate on edge surfaces of 2:1 type phyllosilicate: Insights from density functional theory calculation
- (2008) Xiandong Liu et al. GEOCHIMICA ET COSMOCHIMICA ACTA
- Zinc surface complexes on birnessite: A density functional theory study
- (2008) Kideok D. Kwon et al. GEOCHIMICA ET COSMOCHIMICA ACTA
- Acid−Base Properties of Synthetic and Natural Polyelectrolytes: Experimental Results and Models for the Dependence on Different Aqueous Media†
- (2008) Francesco Crea et al. JOURNAL OF CHEMICAL AND ENGINEERING DATA
- Model study on sorption of polycyclic aromatic hydrocarbons to goethite
- (2008) Daniel Tunega et al. JOURNAL OF COLLOID AND INTERFACE SCIENCE
- Structure analysis of hydrotalcite intercalated with pyrenetetrasulfonate; experiments and molecular modelling
- (2008) Marek Veteška et al. JOURNAL OF MOLECULAR MODELING
- Computer Simulation Study of the Structural Stability and Materials Properties of DNA-Intercalated Layered Double Hydroxides
- (2008) Mary-Ann Thyveetil et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Role of Host Layer Flexibility in DNA Guest Intercalation Revealed by Computer Simulation of Layered Nanomaterials
- (2008) Mary-Ann Thyveetil et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Fulvic Acid Sorption on Muscovite Mica as a Function of pH and Time Using In Situ X-ray Reflectivity
- (2008) Sang Soo Lee et al. LANGMUIR
- Adsorption of Organic Matter at Mineral/Water Interfaces: 7. ATR-FTIR and Quantum Chemical Study of Lactate Interactions with Hematite Nanoparticles
- (2008) Juyoung Ha et al. LANGMUIR
- Humic Acid Fractionation upon Sequential Adsorption onto Goethite
- (2008) Seunghun Kang et al. LANGMUIR
- A critical appraisal of polymer–clay nanocomposites
- (2007) Biqiong Chen et al. CHEMICAL SOCIETY REVIEWS
- Effects of background cations on the fouling of polyethersulfone membranes by natural organic matter: Experimental and molecular modeling study
- (2007) Won-Young Ahn et al. JOURNAL OF MEMBRANE SCIENCE
Discover Peeref hubs
Discuss science. Find collaborators. Network.
Join a conversationAdd your recorded webinar
Do you already have a recorded webinar? Grow your audience and get more views by easily listing your recording on Peeref.
Upload Now