Investigation of interactions between oxygen-containing groups and water molecules on coal surfaces using density functional theory

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

(2020) Chengyong Wang et al.   APPLIED SURFACE SCIENCE

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

Improving the floatability of coal with varying surface roughness through hypobaric treatment

(2019) Yaowen Xing et al.   POWDER TECHNOLOGY

Effect of conventional and microwave thermal treatments on floatability of low- and high-rank lignites

(2019) Safak Gokhan Ozkan et al.   Energy Sources Part A-Recovery Utilization and Environmental Effects

A comparative study to predict regioselectivity, electrophilicity and nucleophilicity with Fukui function and Hirshfeld charge

(2019) Bin Wang et al.   THEORETICAL CHEMISTRY ACCOUNTS

Parametrizing nonbonded interactions between silica and water from first principles

(2019) H. Gokberk Ozcelik et al.   APPLIED SURFACE SCIENCE

Role of molecular simulation in understanding the mechanism of low-rank coal flotation: A review

(2019) Yangchao Xia et al.   FUEL

Hydration film measurement on mica and coal surfaces using atomic force microscopy and interfacial interactions

(2018) Yao-wen Xing et al.   Journal of Central South University

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

Effect of oxidation processing on the surface properties and floatability of Meizhiyou long-flame coal

(2017) Songjiang Chen et al.   FUEL

Enhancing flotation performance of low rank coal by improving its hydrophobicity and the property of oily bubbles using 2-ethylhexanol

(2017) Songjiang Chen et al.   INTERNATIONAL JOURNAL OF MINERAL PROCESSING

Effect of heating process on the wettability of fine coals of various ranks

(2016) Wencheng Xia et al.   CANADIAN JOURNAL OF CHEMICAL ENGINEERING

Theoretical Investigation of Noncovalent Interactions between Low-Rank Coal and Water

(2016) Junhong Wu et al.   ENERGY & FUELS

Structure of some western Anatolia coals investigated by FTIR, Raman, 13C solid state NMR spectroscopy and X-ray diffraction

(2016) Mustafa Baysal et al.   INTERNATIONAL JOURNAL OF COAL GEOLOGY

Investigation of oxygen-containing group promotion effect on CO2–coal interaction by density functional theory

(2014) Xia Huang et al.   APPLIED SURFACE SCIENCE

The Nucleophilicity of the Oxygen Functional Groups on Carbon Materials: A DFT Analysis

(2014) Bo Li et al.   CHEMISTRY-A EUROPEAN JOURNAL

Combined Monte Carlo and molecular dynamics simulation of methane adsorption on dry and moist coal

(2014) Junfang Zhang et al.   FUEL

Solid-state C-13 CP/MAS NMR study of Baganuur coal, Mongolia: Oxygen-loss during coalification from lignite to subbituminous rank

(2010) Bat-Orshikh Erdenetsogt et al.   INTERNATIONAL JOURNAL OF COAL GEOLOGY

van der Waals Effects in Interfacial Water on the Cl- and H-Terminated Si(111) Surfaces

(2009) Pier Luigi Silvestrelli et al.   Journal of Physical Chemistry C

Computer molecular models of low-rank coal and char containing inorganic complexes

(2008) George Domazetis et al.   JOURNAL OF MOLECULAR MODELING