Molecular dynamics simulation of a lignite structure simplified model absorbing water

Transferability of interatomic potentials with insights into the structure–property relationship of SiO2–CaO–MgO–Al2O3 melts

(2019) Kejiang Li et al.   MOLECULAR SIMULATION

A thermally coupled reactive distillation process to intensify the synthesis of isopropyl acetate

(2018) Tianlong Zhao et al.   CHEMICAL ENGINEERING AND PROCESSING

Analysis of coal wettability by inverse gas chromatography and its guidance for coal flotation

(2018) Chenkai Niu et al.   FUEL

Investigation of coal components of Late Permian different ranks bark coal using AFM and Micro-FTIR

(2017) Shaoqing Wang et al.   FUEL

Applications of micro-FTIR technique in studying hydrophobicity of coal

(2017) J. Liu et al.   INTERNATIONAL JOURNAL OF COAL GEOLOGY

Molecular dynamics simulations of cesium adsorption on illite nanoparticles

(2017) Laura N. Lammers et al.   JOURNAL OF COLLOID AND INTERFACE SCIENCE

Enhancing the enantioselective recognition and sensing of chiral anions by halogen bonding

(2016) Jason Y. C. Lim et al.   CHEMICAL COMMUNICATIONS

Study on the pore structure and oxygen-containing functional groups devoting to the hydrophilic force of dewatered lignite

(2015) Yanli Zhang et al.   APPLIED SURFACE SCIENCE

Adsorption of CH4 and CH4/CO2 mixtures in carbon nanotubes and disordered carbons: A molecular simulation study

(2015) Lang Liu et al.   CHEMICAL ENGINEERING SCIENCE

Competitive adsorption of a binary CO2–CH4 mixture in nanoporous carbons: effects of edge-functionalization

(2015) Xiaoqing Lu et al.   Nanoscale

Impacts of Inherent O-Containing Functional Groups on the Surface Properties of Shengli Lignite

(2014) Yonggang Wang et al.   ENERGY & FUELS

A concentration-dependent diffusion coefficient model for water sorption in composite

(2013) S. Joannès et al.   COMPOSITE STRUCTURES

Multiwfn: A multifunctional wavefunction analyzer

(2011) Tian Lu et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY