Oxidation of 2,6-dimethyl phenol in supercritical water: experimental and molecular dynamics simulation study

[1]  F. Esmaeilzadeh,et al.  Treatment of methyldiethanolamine wastewater using subcritical and supercritical water oxidation: parameters study, process optimization and degradation mechanism , 2022, Environmental Science and Pollution Research.

[2]  Hafiz M.N. Iqbal,et al.  Supercritical water oxidation of phenol and process enhancement with in situ formed Fe2O3 nano catalyst , 2021, Environmental Science and Pollution Research.

[3]  Yingying Qi,et al.  Degradation and partial oxidation of waste plastic express packaging bags in supercritical water: Resources transformation and pollutants removal. , 2021, Journal of hazardous materials.

[4]  P. Reinhall,et al.  Design of a Small-Scale Supercritical Water Oxidation Reactor. Part I: Experimental Characterization , 2021, Industrial & Engineering Chemistry Research.

[5]  O. Tavakoli,et al.  Hydrogen production from dairy wastewater using catalytic supercritical water gasification: Mechanism and reaction pathway , 2021 .

[6]  J. Llorca,et al.  Review of the Decomposition of Ammonia to Generate Hydrogen , 2021 .

[7]  Yishu Zhang,et al.  Supercritical water oxidation of glyphosate wastewater , 2021 .

[8]  Zhenqun Wu,et al.  Influence of Stefan flow on the drag coefficient and heat transfer of a spherical particle in a supercritical water cross flow , 2021 .

[9]  Shuzhong Wang,et al.  Review on Mechanisms and Kinetics for Supercritical Water Oxidation Processes , 2020 .

[10]  Changqing Cao,et al.  A molecular dynamics simulation study on solubility behaviors of polycyclic aromatic hydrocarbons in supercritical water/hydrogen environment , 2020, International Journal of Hydrogen Energy.

[11]  Furong Xiu,et al.  DEHP degradation and dechlorination of polyvinyl chloride waste in subcritical water with alkali and ethanol: A comparative study. , 2020, Chemosphere.

[12]  Junbin Ji,et al.  Biodegradation of plastic monomer 2,6-dimethylphenol by Mycobacterium neoaurum B5-4. , 2019, Environmental pollution.

[13]  Yifan Li,et al.  A novel safety treatment strategy of DEHP-rich flexible polyvinyl chloride waste through low-temperature critical aqueous ammonia treatment. , 2019, The Science of the total environment.

[14]  Madhulata Shukla,et al.  Adsorption mechanism of phenol, p-chlorophenol, and p-nitrophenol on magnetite surface: A molecular dynamics study , 2019, Journal of Molecular Liquids.

[15]  P. Li,et al.  Supercritical water oxidation of ammonia with methanol as the auxiliary fuel: Comparing with isopropanol , 2019, Chemical Engineering Research and Design.

[16]  Min Chen,et al.  Role of Dissolved Oxygen in Iron Oxidation in Supercritical Water: Insights from Reactive Dynamics Simulations , 2019, The Journal of Physical Chemistry C.

[17]  A. Tiehm,et al.  Ecotoxicity of Nitrogen, Sulfur, or Oxygen Heterocycles and Short‐Chained Alkyl Phenols Commonly Detected in Contaminated Groundwater , 2019, Environmental toxicology and chemistry.

[18]  Zhemin Shen,et al.  Decomposition of 15 aromatic compounds in supercritical water oxidation. , 2019, Chemosphere.

[19]  H. Xu,et al.  Supercritical water oxidation of dyeing sludge , 2019, IOP Conference Series: Earth and Environmental Science.

[20]  W. Jin,et al.  Complex Mechanism of Phenol Extraction of Coal Gasification Wastewater , 2019, Polish Journal of Environmental Studies.

[21]  Zhemin Shen,et al.  Temperature sensitivity of nitrogen-containing compounds decomposition during supercritical water oxidation (SCWO) , 2018, Journal of the Taiwan Institute of Chemical Engineers.

[22]  H. Heipieper,et al.  Changes in bacterial diversity and catabolic gene abundance during the removal of dimethylphenol isomers in laboratory-scale constructed wetlands , 2018, Applied Microbiology and Biotechnology.

[23]  Youjun Lu,et al.  Oxidative degradation of quinazoline in supercritical water: a combined ReaxFF and DFT study , 2018, Molecular Simulation.

[24]  A. V. van Duin,et al.  Benchmark of ReaxFF force field for subcritical and supercritical water. , 2018, The Journal of chemical physics.

[25]  Wei Li,et al.  Treatment of penicillin with supercritical water oxidation: Experimental study of combined ReaxFF molecular dynamics , 2018, Korean Journal of Chemical Engineering.

[26]  Alireza Nezamzadeh-Ejhieh,et al.  Synergistic effects of copper oxide-zeolite nanoparticles composite on photocatalytic degradation of 2,6-dimethylphenol aqueous solution , 2018 .

[27]  María José Cocero,et al.  Supercritical water processes: Future prospects , 2017 .

[28]  M. K. Hrnčič,et al.  Sub- and super-critical water oxidation of wastewater containing amoxicillin and ciprofloxacin , 2017 .

[29]  K. Thomas,et al.  Identification of non-regulated polycyclic aromatic compounds and other markers of urban pollution in road tunnel particulate matter. , 2017, Journal of hazardous materials.

[30]  Shuzhong Wang,et al.  Partial oxidation of landfill leachate in supercritical water: Optimization by response surface methodology. , 2015, Waste management.

[31]  Wei Li,et al.  Analysis of degradation mechanism of disperse orange 25 in supercritical water oxidation using molecular dynamic simulations based on the reactive force field , 2015, Journal of Molecular Modeling.

[32]  Wei Li,et al.  Supercritical Water Oxidation vs Supercritical Water Gasification: Which Process Is Better for Explosive Wastewater Treatment? , 2015 .

[33]  K. Hellgardt,et al.  Partial oxidation of n-hexadecane through decomposition of hydrogen peroxide in supercritical water , 2015 .

[34]  W. Żukowski,et al.  Selective phenol methylation to 2,6-dimethylphenol in a fluidized bed of iron-chromium mixed oxide catalyst with o–cresol circulation , 2014, Chemistry Central Journal.

[35]  D. Mowla,et al.  Experimental and theoretical analysis of the UV/H2O2 advanced oxidation processes treating aromatic hydrocarbons and MTBE from contaminated synthetic wastewaters , 2014 .

[36]  Minhua Zhang,et al.  Process Simulation of Laboratory Wastewater Treatment via Supercritical Water Oxidation , 2014 .

[37]  C. Duan,et al.  ReaxFF reactive force field for molecular dynamics simulations of epoxy resin thermal decomposition with model compound , 2013 .

[38]  P. A. Marrone Supercritical water oxidation—Current status of full-scale commercial activity for waste destruction , 2013 .

[39]  W. Li,et al.  The effect of supercritical water on coal pyrolysis and hydrogen production: A combined ReaxFF and DFT study , 2013 .

[40]  J. S. Goela,et al.  Computational Study of Surface Deposition and Gas Phase Powder Formation during Spinel Chemical Vapor Deposition Processes , 2013 .

[41]  T. Licha,et al.  Quellen und Vorkommen kurzkettiger Alkylphenole (SCAP) , 2013, Grundwasser.

[42]  S. Belaidi,et al.  Photodegradation kinetics of 2,6-dimetylphenol by natural iron oxide and oxalate in aqueous solution , 2012 .

[43]  B. Kayan,et al.  Degradation of Acid Red 274 using H2O2 in subcritical water: application of response surface methodology. , 2012, Journal of hazardous materials.

[44]  Bo Chen,et al.  ReaxFF Reactive Force Field for Molecular Dynamics Simulations of Lignite Depolymerization in Supercritical Methanol with Lignite-Related Model Compounds , 2012 .

[45]  R. R. Giri,et al.  Oxidative degradation of 2,4-dichlorophenoxyacetic acid (2,4-D) in subcritical and supercritical waters. , 2010, Water science and technology : a journal of the International Association on Water Pollution Research.

[46]  E. Gidarakos,et al.  BTEX and MTBE adsorption onto raw and thermally modified diatomite. , 2010, Journal of hazardous materials.

[47]  M Arami,et al.  Coagulation/flocculation process for dye removal using sludge from water treatment plant: optimization through response surface methodology. , 2010, Journal of hazardous materials.

[48]  Huaili Zheng,et al.  Optimization for decolorization of azo dye acid green 20 by ultrasound and H2O2 using response surface methodology. , 2009, Journal of hazardous materials.

[49]  A. V. Duin,et al.  Early maturation processes in coal. Part 2: Reactive dynamics simulations using the ReaxFF reactive force field on Morwell Brown coal structures , 2009 .

[50]  F. Kargı,et al.  A statistical experiment design approach for advanced oxidation of Direct Red azo-dye by photo-Fenton treatment. , 2009, Journal of hazardous materials.

[51]  M. Bezerra,et al.  Response surface methodology (RSM) as a tool for optimization in analytical chemistry. , 2008, Talanta.

[52]  Dehua Liu,et al.  Response surface optimization of biocatalytic biodiesel production with acid oil , 2008 .

[53]  I. M. Mishra,et al.  Optimization of process parameters for acrylonitrile removal by a low-cost adsorbent using Box-Behnken design. , 2008, Journal of hazardous materials.

[54]  Shuang-jun Chang,et al.  Degradation mechanism of 2,4,6-trinitrotoluene in supercritical water oxidation. , 2007, Journal of environmental sciences.

[55]  I. M. Svishchev,et al.  Supercritical water oxidation of o-dichlorobenzene: degradation studies and simulation insights , 2006 .

[56]  Yu Yang,et al.  Phenanthrene degradation in subcritical water , 2006 .

[57]  Y. Oshima,et al.  Elementary reaction mechanism of methylamine oxidation in supercritical water , 2005 .

[58]  M. Sauter,et al.  Use of Short Chained Alkylphenols (SCAP) in Analysis of Transport Behaviour of Oil Contaminated Groundwater , 2002 .

[59]  A. Sakr,et al.  Application of multiple response optimization technique to extended release formulations design. , 2001, Journal of controlled release : official journal of the Controlled Release Society.

[60]  M. Bolte,et al.  Heterogeneous light-induced transformation of 2,6-dimethylphenol in aqueous suspensions containing goethite , 2000 .

[61]  Steve Plimpton,et al.  Fast parallel algorithms for short-range molecular dynamics , 1993 .