Construction and evaluation of chemical structure model of Huolinhe lignite using molecular modeling

A new insight into the structure of Huolinhe lignite based on the yields of benzene carboxylic acids

(2017) Fan Yang et al.   FUEL

Characterization of organic nitrogen and sulfur in the oil shale kerogens

(2017) Qing Wang et al.   FUEL PROCESSING TECHNOLOGY

The structure and pyrolysis product distribution of lignite from different sedimentary environment

(2016) Peng Liu et al.   APPLIED ENERGY

Theoretical and Experimental Insight into Coal Structure: Establishing a Chemical Model for Yuzhou Lignite

(2016) Jie-Ping Wang et al.   ENERGY & FUELS

Structure Characterization and Model Construction of Indonesian Brown Coal

(2016) Hua-lin Lin et al.   ENERGY & FUELS

Evaluation of the macromolecular structure of Huadian oil shale kerogen using molecular modeling

(2016) Jianhui Tong et al.   FUEL

Examination of structural models and bonding characteristics of coals

(2016) Bin Zhou et al.   FUEL

Insights on the combustion and pyrolysis behavior of three different ranks of coals using reactive molecular dynamics simulation

(2016) Sanjukta Bhoi et al.   RSC Advances

Three-Dimensional Structure of a Huadian Oil Shale Kerogen Model: An Experimental and Theoretical Study

(2015) Xiao-Hui Guan et al.   ENERGY & FUELS

Insight into the structural features of Zhaotong lignite using multiple techniques

(2015) Zhan-Ku Li et al.   FUEL

TG–GC–MS study of volatile products from Shengli lignite pyrolysis

(2015) Qiongqiong He et al.   FUEL

Modeling of kraft lignin pyrolysis based on bond dissociation and fragments coupling

(2015) Xiaojin Guo et al.   FUEL PROCESSING TECHNOLOGY

Pyrolysis of a large-scale molecular model for Illinois no. 6 coal using the ReaxFF reactive force field

(2014) Fidel Castro-Marcano et al.   JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS

Revealing chemical reactions of coal pyrolysis with GPU-enabled ReaxFF molecular dynamics and cheminformatics analysis

(2014) Xiaoxia Li et al.   MOLECULAR SIMULATION

Quantum chemical calculations on the geometrical, conformational, spectroscopic and nonlinear optical parameters of 5-(2-Chloroethyl)-2,4-dichloro-6-methylpyrimidine

(2014) Hacer Pir Gümüş et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

Thermogravimetric analysis and kinetics of co-pyrolysis of raw/torrefied wood and coal blends

(2013) Ke-Miao Lu et al.   APPLIED ENERGY

Chemical/physical properties of char during devolatilization in inert and reducing conditions

(2013) Lin Qian et al.   FUEL PROCESSING TECHNOLOGY

Gas evolution characteristics of lignite during low-temperature pyrolysis

(2013) Ying Xu et al.   JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS

Pyrolysis behavior and bonding information of coal — A TGA study

(2012) Lei Shi et al.   FUEL PROCESSING TECHNOLOGY

Natural bond orbital analysis: A critical overview of relationships to alternative bonding perspectives

(2012) Frank Weinhold   JOURNAL OF COMPUTATIONAL CHEMISTRY

Experimental and computational studies on the average molecular structure of Chinese Huadian oil shale kerogen

(2012) Xin Ru et al.   JOURNAL OF MOLECULAR STRUCTURE

The molecular representations of coal – A review

(2011) Jonathan P. Mathews et al.   FUEL

Study on the liquefaction of Shengli lignite with NaOH/methanol

(2010) Zhiping Lei et al.   FUEL PROCESSING TECHNOLOGY

The utility of coal molecular models

(2010) Jonathan P. Mathews et al.   FUEL PROCESSING TECHNOLOGY