Influence of functional groups and pore sizes in porous carbon for methanol acetone adsorptive separation based on molecular simulation

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The degradation pathways of carbamazepine in advanced oxidation process: A mini review coupled with DFT calculation

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Edge-sited Fe-N4 atomic species improve oxygen reduction activity via boosting O2 dissociation

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Pore structure and VOCs adsorption characteristics of activated coke powders derived via one‐step rapid pyrolysis activation method

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Metal-organic frameworks chelated by zinc fluorides for ultra-high affinity to acetylene during C2/C1 separations

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Specific Li+ sites in a nanoporous carbon for enhanced light hydrocarbons storage and separation: GCMC and DFT simulations

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Superior acetone uptake of hierarchically N-doped potassium citrate-based porous carbon prepared by one-step carbonization

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Synthesis of nitrogen-rich nanoporous carbon materials with C3N-type from ZIF-8 for methanol adsorption

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Performance evaluation of activated carbon with different pore sizes and functional groups for VOC adsorption by molecular simulation

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A review of oxygen reduction mechanisms for metal-free carbon-based electrocatalysts

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Competitive Adsorption of Methanol–Acetone on Surface Functionalization (−COOH, −OH, −NH2, and −SO3H): Grand Canonical Monte Carlo and Density Functional Theory Simulations

(2019) Yang Guo et al.   ACS Applied Materials & Interfaces

Representation of micro-structural evolution and thermo-mechanical damage in thermal shocked oxide/oxide ceramic matrix composites

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S-graphite slit pore: A superior selective adsorbent for light hydrocarbons

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Effective enhancement on methanol adsorption in Cu-BTC by combination of lithium-doping and nitrogen-doping functionalization

(2018) Zewei Liu et al.   JOURNAL OF MATERIALS SCIENCE

The influence of the functional group on activated carbon for acetone adsorption property by molecular simulation study

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Activated carbons modified by magnesium oxide as highly efficient sorbents for acetone

(2018) Ke Zhou et al.   RSC Advances

Porous carbon materials based on biomass for acetone adsorption: Effect of surface chemistry and porous structure

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Doping of alkali metals in carbon frameworks for enhancing CO2 capture: A theoretical study

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X-ray computed tomography of microstructure evolution during matrix impregnation and curing in unidirectional fiber beds

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Acetone adsorption to (BeO)12, (MgO)12 and (ZnO)12 nanoparticles and their graphene composites: A density functional theory (DFT) study

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Sulfur–Nitrogen Codoped Graphite Slit-Pore for Enhancing Selective Carbon Dioxide Adsorption: Insights from Molecular Simulations

(2017) Xiaofang Li et al.   ACS Sustainable Chemistry & Engineering

Synthesis of Cu/TiO 2 /organo-attapulgite fiber nanocomposite and its photocatalytic activity for degradation of acetone in air

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Adsorption of volatile organic vapors by activated carbon derived from rice husk under various humidity conditions and its statistical evaluation by linear solvation energy relationships

(2016) Mei-syue Li et al.   SEPARATION AND PURIFICATION TECHNOLOGY

Adsorptive Separation of Methanol–Acetone on Isostructural Series of Metal–Organic Frameworks M-BTC (M = Ti, Fe, Cu, Co, Ru, Mo): A Computational Study of Adsorption Mechanisms and Metal-Substitution Impacts

(2015) Ying Wu et al.   ACS Applied Materials & Interfaces

Enhancement effect of lithium-doping functionalization on methanol adsorption in copper-based metal-organic framework

(2015) Ying Wu et al.   CHEMICAL ENGINEERING SCIENCE

Properties of the liquid–vapor interface of acetone–methanol mixtures, as seen from computer simulation and ITIM surface analysis

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Noncovalent π⋅⋅⋅π interaction between graphene and aromatic molecule: Structure, energy, and nature

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CO2 Adsorption Thermodynamics over N-Substituted/Grafted Graphanes: A DFT Study

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Mechanical properties and scaling laws of nanoporous gold

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Free Energy of Mixing of Acetone and Methanol: A Computer Simulation Investigation

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Structural Modelling of Silicon Carbide-Derived Nanoporous Carbon by Hybrid Reverse Monte Carlo Simulation

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Effect of Pore Morphology on the Adsorption of Methane/Hydrogen Mixtures on Carbon Micropores

(2012) K. Vasanth Kumar et al.   Journal of Physical Chemistry C

Packing effects on argon and methanol adsorption inside graphitic cylindrical and slit pores: A GCMC simulation study

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Effects of Temperature on Adsorption of Methanol on Graphitized Thermal Carbon Black: A Computer Simulation and Experimental Study

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DFT Studies on the Interaction of Defective Graphene-Supported Fe and Al Nanoparticles

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Computational structure characterisation tools in application to ordered and disordered porous materials

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The role of accessibility in the characterization of porous solids and their adsorption properties

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Extractive Distillation of Acetone/Methanol Mixture Using Water as Entrainer

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Quantum Chemical Prediction of Pathways and Rate Constants for Reactions of CO and CO2 with Vacancy Defects on Graphite (0001) Surfaces

(2009) S. C. Xu et al.   Journal of Physical Chemistry C

Active Sites in Graphene and the Mechanism of CO2Formation in Carbon Oxidation

(2009) Ljubisa R. Radovic   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Correlation of the applied electrical field and CO adsorption/desorption behavior on Al-doped graphene

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The effect of the pore size and volume of activated carbon on adsorption efficiency of vapor phase compounds in cigarette smoke

(2008) Takashi Sasaki et al.   COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS