Supercritical water co-gasification mechanism of lignin and low density polyethylene into syngas: ReaxFF molecular dynamic simulation and density functional theory calculation study

Thermal decomposition and interaction mechanism of HFC-227ea/n-hexane as a zeotropic working fluid for organic Rankine cycle

(2022) Erguang Huo et al.   ENERGY

The combustion mechanism of leaking propane (R290) in O2 and O2/H2O environments: ReaxFF molecular dynamics and density functional theory study

(2022) Erguang Huo et al.   PROCESS SAFETY AND ENVIRONMENTAL PROTECTION

Catalytic co‐pyrolysis of low‐density polyethylene (LDPE) and lignin for jet fuel range hydrocarbons over activated carbon catalyst

(2022) Mengna Bai et al.   INTERNATIONAL JOURNAL OF ENERGY RESEARCH

The thermal decomposition and interaction mechanism of HFC-245fa/HFC-227ea mixture: A reactive molecular dynamic simulation and density functional method calculation study

(2022) Erguang Huo et al.   Computational and Theoretical Chemistry

Gasification of α-O-4 linkage lignin dimer in supercritical water into hydrogen and carbon monoxide: Reactive molecular dynamic simulation study

(2022) Zhiheng Song et al.   FUEL

Catalytic conversion mechanism of guaiacol as the intermediate of lignin catalytic pyrolysis on MgO surface: Density functional theory calculation

(2022) Mengna Bai et al.   JOURNAL OF MOLECULAR LIQUIDS

A molecular investigation on lignin thermochemical conversion and carbonaceous organics deposition induced catalyst deactivation

(2021) Cheng Chen et al.   APPLIED ENERGY

Molecular dynamic study on mechanisms of polyvinylidene fluoride decomposition by using supercritical water

(2021) Jingwei Chen et al.   CHEMICAL ENGINEERING JOURNAL

Co-gasification of plastic wastes and soda lignin in supercritical water

(2020) Changqing Cao et al.   CHEMICAL ENGINEERING JOURNAL

Phenols production form Douglas fir catalytic pyrolysis with MgO and biomass-derived activated carbon catalysts

(2020) Erguang Huo et al.   ENERGY

Understanding lignin gasification in supercritical water using reactive molecular dynamics simulations

(2020) Xiangyang Liu et al.   RENEWABLE ENERGY

Jet fuel and hydrogen produced from waste plastics catalytic pyrolysis with activated carbon and MgO

(2020) Erguang Huo et al.   SCIENCE OF THE TOTAL ENVIRONMENT

Renewable jet-fuel range hydrocarbons production from co-pyrolysis of lignin and soapstock with the activated carbon catalyst

(2019) Dengle Duan et al.   WASTE MANAGEMENT

Molecular dynamics investigation on the lignin gasification in supercritical water

(2019) Hanqing Li et al.   FUEL PROCESSING TECHNOLOGY

Hydrocarbon rich bio-oil production, thermal behavior analysis and kinetic study of microwave-assisted co-pyrolysis of microwave-torrefied lignin with low density polyethylene

(2019) Quan Bu et al.   BIORESOURCE TECHNOLOGY

The oxidation decomposition mechanisms of HFO-1336mzz(Z) as an environmentally friendly refrigerant in O2/H2O environment

(2019) Erguang Huo et al.   ENERGY

Experimental study on gasification performance of polypropylene (PP) plastics in supercritical water

(2019) Bin Bai et al.   ENERGY

Co-pyrolysis of biomass and waste plastics as a thermochemical conversion technology for high-grade biofuel production: Recent progress and future directions elsewhere worldwide

(2018) Benjamin Bernard Uzoejinwa et al.   ENERGY CONVERSION AND MANAGEMENT

Supercritical water gasification of lignin solution produced by steam explosion process on Arundo Donax after alkaline extraction

(2018) A. Molino et al.   FUEL

Ex-situ catalytic upgrading of vapors from microwave-assisted pyrolysis of low-density polyethylene with MgO

(2017) Liangliang Fan et al.   ENERGY CONVERSION AND MANAGEMENT

A ReaxFF-based molecular dynamics study of the pyrolysis mechanism of HFO-1336mzz(Z)

(2017) Erguang Huo et al.   INTERNATIONAL JOURNAL OF REFRIGERATION-REVUE INTERNATIONALE DU FROID

Chemical Effect of H2O on CH4 Oxidation during Combustion in O2/H2O Environments

(2016) Dikun Hong et al.   ENERGY & FUELS

Molecular dynamic investigation on hydrogen production by furfural gasification in supercritical water

(2016) Hui Jin et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Mechanism of glucose conversion in supercritical water by DFT study

(2016) Yayun Zhang et al.   JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS

Pyrolysis mechanism of α-O-4 linkage lignin dimer: A theoretical study

(2015) Jinbao Huang et al.   JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS

Density functional theory studies on pyrolysis mechanism of β-O-4 type lignin dimer model compound

(2014) Jinbao Huang et al.   JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS

Towards sustainable production of clean energy carriers from biomass resources

(2012) Kajan Srirangan et al.   APPLIED ENERGY

ReaxFF Reactive Force Field for Molecular Dynamics Simulations of Hydrocarbon Oxidation

(2008) Kimberly Chenoweth et al.   JOURNAL OF PHYSICAL CHEMISTRY A