Modelling co-gasification of plastic waste and lignin in supercritical water using reactive molecular dynamics simulations

Regulating structure and flow of ionic liquid confined in nanochannel using water and electric field

(2022) Xiangyang Liu et al.   JOURNAL OF MOLECULAR LIQUIDS

Influence of Stefan flow on the drag coefficient and heat transfer of a spherical particle in a supercritical water cross flow

(2021) Hui Jin et al.   PHYSICS OF FLUIDS

Enhanced production of renewable aromatic hydrocarbons for jet-fuel from softwood biomass and plastic waste using hierarchical ZSM-5 modified with lignin-assisted re-assembly

(2021) Moriko Qian et al.   ENERGY CONVERSION AND MANAGEMENT

Synergistic effect of supercritical water and nano-catalyst on lignin gasification

(2021) Tao Wang et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Gelation of waxy crude oil system with ethylene-vinyl acetate on solid surface: A molecular dynamics study

(2021) Qibin Li et al.   JOURNAL OF MOLECULAR LIQUIDS

The effect of particle wake on the heat transfer characteristics between interactive particles in supercritical water

(2021) Xiaoyu Li et al.   CHEMICAL ENGINEERING SCIENCE

Study on the polystyrene plastic degradation in supercritical water/CO2 mixed environment and carbon fixation of polystyrene plastic in CO2 environment

(2021) Shiyu Zhao et al.   JOURNAL OF HAZARDOUS MATERIALS

Molecular structure and transport of ionic liquid confined in asymmetric graphene-coated silica nanochannel

(2021) Xiangyang Liu et al.   JOURNAL OF MOLECULAR LIQUIDS

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

(2020) Changqing Cao et al.   CHEMICAL ENGINEERING JOURNAL

Molecular dynamics simulation of thermophysical properties and condensation process of R1233zd(E)

(2020) Tao Wang et al.   INTERNATIONAL JOURNAL OF REFRIGERATION-REVUE INTERNATIONALE DU FROID

Molecular dynamics simulation of diffusion and interaction of [bmim][Tf2N] + HFO-1234yf mixture

(2020) Tao Wang et al.   JOURNAL OF MOLECULAR LIQUIDS

A molecular dynamics simulation study on solubility behaviors of polycyclic aromatic hydrocarbons in supercritical water/hydrogen environment

(2020) Weijing Ding et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Molecular dynamics study on the coalescence and break-up behaviors of ionic droplets under DC electric field

(2020) Fenhong Song et al.   JOURNAL OF MOLECULAR LIQUIDS

Biocatalytic recycling of polyethylene terephthalate plastic

(2020) Wolfgang Zimmermann   PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES

Understanding lignin gasification in supercritical water using reactive molecular dynamics simulations

(2020) Xiangyang Liu et al.   RENEWABLE ENERGY

Electrochemical Oxidation of Lignin and Waste Plastic

(2020) Robert S. Weber et al.   ACS Omega

Enhancement of depolymerization slag gasification in supercritical water and its gasification performance in fluidized bed reactor

(2020) Cui Wang et al.   RENEWABLE ENERGY

A complete depolymerization of scrap tire with supercritical water participation: A molecular dynamic simulation study

(2019) Shuo Yan et al.   WASTE MANAGEMENT

Effect of the molecular structure of volatile organic compounds on atmospheric nucleation: A modeling study based on gas kinetic theory and graph theory

(2019) Binfan Jiang et al.   ATMOSPHERIC ENVIRONMENT

Atomistic simulations of Epoxy/Water/Aluminum systems using the ReaxFF method

(2019) Mohammad Soleymanibrojeni et al.   COMPUTATIONAL MATERIALS SCIENCE

Solar pyrolysis of waste biomass: Part 1 reactor design

(2019) Szymon Sobek et al.   RENEWABLE ENERGY

Wetting Behaviors of a Nano-Droplet on a Rough Solid Substrate under Perpendicular Electric Field

(2018) Fenhong Song et al.   Nanomaterials

Co-pyrolysis of lignin and plastics using red clay as catalyst in a micro-pyrolyzer

(2018) Vivek Patil et al.   BIORESOURCE TECHNOLOGY

Pyrolysis of binary fuel mixtures at supercritical conditions: A ReaxFF molecular dynamics study

(2018) Chowdhury Ashraf et al.   FUEL

Evaluation of the co-pyrolysis of lignin with plastic polymers by TG-FTIR and Py-GC/MS

(2016) Wei Jin et al.   POLYMER DEGRADATION AND STABILITY

The ReaxFF reactive force-field: development, applications and future directions

(2016) Thomas P Senftle et al.   npj Computational Materials

Catalytic pyrolysis of black-liquor lignin by co-feeding with different plastics in a fluidized bed reactor

(2015) Huiyan Zhang et al.   BIORESOURCE TECHNOLOGY

Aqueous proton transfer across single-layer graphene

(2015) Jennifer L. Achtyl et al.   Nature Communications

Thermal properties of fluorinated graphene

(2013) Sandeep Kumar Singh et al.   PHYSICAL REVIEW B

A review on the methods for biomass to energy conversion systems design

(2013) Sebnem Yılmaz et al.   RENEWABLE & SUSTAINABLE ENERGY REVIEWS

The Effect of Intermolecular Interactions on Local Density Inhomogeneities and Related Dynamics in Pure Supercritical Fluids. A Comparative Molecular Dynamics Simulation Study

(2009) Ioannis Skarmoutsos et al.   JOURNAL OF PHYSICAL CHEMISTRY B

ReaxFF Reactive Force Field for Molecular Dynamics Simulations of Hydrocarbon Oxidation

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