The reaction mechanism and sulfur evolution during vulcanized nature rubber pyrolysis in the atmosphere of H2O: A ReaxFF molecular dynamics study
出版年份 2022 全文链接
标题
The reaction mechanism and sulfur evolution during vulcanized nature rubber pyrolysis in the atmosphere of H2O: A ReaxFF molecular dynamics study
作者
关键词
-
出版物
POLYMER DEGRADATION AND STABILITY
Volume 203, Issue -, Pages 110064
出版商
Elsevier BV
发表日期
2022-07-08
DOI
10.1016/j.polymdegradstab.2022.110064
参考文献
相关参考文献
注意：仅列出部分参考文献，下载原文获取全部文献信息。- Exploration on the steam gasification mechanism of waste PE plastics based on ReaxFF-MD and DFT methods
- (2022) Weiwei Xuan et al. FUEL
- New Insights into the Pyrolysis Behavior of Polycarbonates: A Study Based on DFT and ReaxFF-MD Simulation under Nonisothermal and Isothermal Conditions
- (2021) Xin Wei et al. ENERGY & FUELS
- Atomic insights into the thermal runaway process of hydrogen peroxide and 1,3,5-trimethybenzene mixture: Combining ReaxFF MD and DFT methods
- (2021) Yanan Qian et al. PROCESS SAFETY AND ENVIRONMENTAL PROTECTION
- The in-situ effect of H2S on the decomposition of natural rubber and catalyst activity
- (2021) Lei Bei et al. CHEMOSPHERE
- Effects of water on pyridine pyrolysis: A reactive force field molecular dynamics study
- (2021) Zhongze Bai et al. ENERGY
- A ReaxFF molecular dynamic study on pyrolysis behavior and sulfur transfer during pyrolysis of vulcanized natural rubber
- (2021) Xin Wei et al. WASTE MANAGEMENT
- Enhanced Fuel Decomposition in the Presence of Colloidal Functionalized Graphene Sheet-Supported Platinum Nanoparticles
- (2020) Hyung Sub Sim et al. ACS Applied Energy Materials
- Thermal decomposition mechanism of some hydrocarbons by ReaxFF-based molecular dynamics and density functional theory study
- (2020) Liyong Xin et al. FUEL
- Waste Rubber Pyrolysis: Product Yields and Limonene Concentration
- (2020) Katarzyna Januszewicz et al. Materials
- Properties and utilization of waste tire pyrolysis oil: A mini review
- (2020) Guohao Zhang et al. FUEL PROCESSING TECHNOLOGY
- Current progress in waste tire rubber devulcanization
- (2020) Ricky Saputra et al. CHEMOSPHERE
- Pyrolysis of vulcanized styrene-butadiene rubber via ReaxFF molecular dynamics simulation
- (2020) Yinbin Wang et al. CHINESE JOURNAL OF CHEMICAL ENGINEERING
- Studying the mechanisms of natural rubber pyrolysis gas generation using RMD simulations and TG-FTIR experiments
- (2019) Xin Wei et al. ENERGY CONVERSION AND MANAGEMENT
- A complete depolymerization of scrap tire with supercritical water participation: A molecular dynamic simulation study
- (2019) Shuo Yan et al. WASTE MANAGEMENT
- Multiscale Simulation on Product Distribution from Pyrolysis of Styrene-Butadiene Rubber
- (2019) Shengwei Deng et al. Polymers
- Catalytic subcritical and supercritical water gasification as a resource recovery approach from waste tires for hydrogen-rich syngas production
- (2019) Sonil Nanda et al. JOURNAL OF SUPERCRITICAL FLUIDS
- New insight into enhancement effect of supercritical water on scrap tire depolymerization: A study based on ReaxFF-MD simulation and DFT method
- (2019) Shuo Yan et al. FUEL PROCESSING TECHNOLOGY
- Rubber pyrolysis: Kinetic modeling and vulcanization effects
- (2018) Sheng Liu et al. ENERGY
- A ReaxFF-Based Molecular Dynamics Simulation of the Pyrolysis Mechanism for Polycarbonate
- (2018) Tong Zhao et al. ENERGY & FUELS
- Study of pyrolysis of brown coal and gasification of coal-water slurry using the ReaxFF reactive force field
- (2018) Zhijun Zhou et al. INTERNATIONAL JOURNAL OF ENERGY RESEARCH
- Sulfur removal from petroleum coke during high-temperature pyrolysis. Analysis from TG-MS data and ReaxFF simulations
- (2018) Qifan Zhong et al. JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS
- A reactive force field molecular dynamics simulation of nickel oxidation in supercritical water
- (2018) Liqiang Ai et al. JOURNAL OF SUPERCRITICAL FLUIDS
- Effect of advanced catalysts on tire waste pyrolysis oil
- (2018) R. Miandad et al. PROCESS SAFETY AND ENVIRONMENTAL PROTECTION
- ReaxFF simulations of petroleum coke sulfur removal mechanisms during pyrolysis and combustion
- (2018) Qifan Zhong et al. COMBUSTION AND FLAME
- Molecular dynamics simulations of Zhundong coal pyrolysis using reactive force field
- (2017) Dikun Hong et al. FUEL
- 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
- Sulphur and peroxide vulcanisation of rubber compounds – overview
- (2016) Ján Kruželák et al. CHEMICAL PAPERS
- Bio-oil upgrading in supercritical water using Ni-Co catalysts supported on carbon nanofibres
- (2016) J. Remón et al. FUEL PROCESSING TECHNOLOGY
- Molecular dynamic investigation on hydrogen production by polycyclic aromatic hydrocarbon gasification in supercritical water
- (2016) Hui Jin et al. INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
- The ReaxFF reactive force-field: development, applications and future directions
- (2016) Thomas P Senftle et al. npj Computational Materials
- ReaxFF simulations of hydrothermal treatment of lignite and its impact on chemical structures
- (2015) Guang-Yue Li et al. FUEL
- Study of coal hydropyrolysis and desulfurization by ReaxFF molecular dynamics simulation
- (2015) Haijun Wang et al. FUEL
- A ReaxFF-based molecular dynamics study of the pyrolysis mechanism of polyimide
- (2015) Xu Lu et al. POLYMER DEGRADATION AND STABILITY
- The fate of sulfur during rapid pyrolysis of scrap tires
- (2013) Hongyun Hu et al. CHEMOSPHERE
- The effect of supercritical water on coal pyrolysis and hydrogen production: A combined ReaxFF and DFT study
- (2013) Jinli Zhang et al. FUEL
Discover Peeref hubs
Discuss science. Find collaborators. Network.
Join a conversationBecome a Peeref-certified reviewer
The Peeref Institute provides free reviewer training that teaches the core competencies of the academic peer review process.
Get Started