Effect of TiO2 nanoparticles on the mass transfer process of absorption of toluene: experimental investigation and molecular dynamics simulation

[1]  R. Subramanian,et al.  Absorption of Volatile Organic Compounds Toluene and Acetaldehyde in Choline Chloride-Based Deep Eutectic Solvents. , 2022, The journal of physical chemistry. B.

[2]  Jun Gao,et al.  Molecular mechanism and extraction performance evaluation of diethylene glycol-based DES for extraction desulfurization process of fuel oil , 2022, Journal of Molecular Liquids.

[3]  Xinpeng Liu,et al.  The effect of ZIF-67 nanoparticles on the desulfurization performance of deep eutectic solvent based nanofluid system , 2021, Journal of Hazardous Materials.

[4]  M. Esrafili,et al.  Are choline chloride-based deep eutectic solvents better than methyl diethanolamine solvents for natural gas Sweetening? theoretical insights from molecular dynamics simulations , 2021 .

[5]  S. I. Gilani,et al.  Molecular dynamics of binary deep eutectic solvents as biocompatible working fluids in heat and mass transfer systems , 2021, Journal of Molecular Liquids.

[6]  Xinpeng Liu,et al.  Enhancement effect of nanofluids on the desulfurization and regeneration performance of ionic liquid-based system. , 2021, Journal of hazardous materials.

[7]  R. Subramanian,et al.  Interaction of volatile organic compounds acetone and toluene with room temperature ionic liquid at the bulk and the liquid-vacuum interface , 2021 .

[8]  Hsi-Hsien Yang,et al.  Hydrophobic deep eutectic solvents as attractive media for low-concentration hydrophobic VOC capture , 2021 .

[9]  Lanyi Sun,et al.  Absorption of Toluene Using Deep Eutectic Solvents: Quantum Chemical Calculations and Experimental Investigation , 2020, Industrial & Engineering Chemistry Research.

[10]  Xinpeng Liu,et al.  Enhanced removal of hydrogen sulfide using novel nanofluid system composed of deep eutectic solvent and Cu nanoparticles. , 2020, Journal of hazardous materials.

[11]  D. Pantazis,et al.  Protein Matrix Control of Reaction Center Excitation in Photosystem II , 2020, Journal of the American Chemical Society.

[12]  Chengna Dai,et al.  Imidazolium-Based Ionic Liquids Introduced into π-Electron Donors: Highly Efficient Toluene Capture , 2020 .

[13]  I. Alnashef,et al.  Investigation of the CO2-solubility in deep eutectic solvents using COSMO-RS and molecular dynamics methods , 2020, Journal of Molecular Liquids.

[14]  Thijs J. H. Vlugt,et al.  Computing solubility parameters of deep eutectic solvents from Molecular Dynamics simulations , 2019, Fluid Phase Equilibria.

[15]  F. Castiglione,et al.  Do Cyclodextrins Encapsulate Volatiles in Deep Eutectic Systems? , 2019, ACS Sustainable Chemistry & Engineering.

[16]  N. Riaz,et al.  Toluene degradation via a unique metabolic route in indigenous bacterial species , 2019, Archives of Microbiology.

[17]  Z. Hashisho,et al.  Adsorption of volatile organic compounds onto natural porous minerals. , 2019, Journal of hazardous materials.

[18]  A. Tavasoli,et al.  CO2 absorption enhancement in graphene-oxide/MDEA nanofluid , 2019, Journal of Environmental Chemical Engineering.

[19]  Dongmei Xu,et al.  Choline chloride based deep eutectic solvents selection and liquid-liquid equilibrium for separation of dimethyl carbonate and ethanol , 2019, Journal of Molecular Liquids.

[20]  M. Darabi,et al.  CO2 absorption enhancement by water-based nanofluids of CNT and SiO2 using hollow-fiber membrane contactor , 2019, Separation and Purification Technology.

[21]  M. Moradi,et al.  Confinement of aqueous mixtures of ionic liquids between amorphous TiO2 slit nanopores: electrostatic field induction. , 2018, Physical chemistry chemical physics : PCCP.

[22]  J. Gasser,et al.  Shear viscosities of liquid sodium and potassium using Green-Kubo and “first principles” pseudopotential formalisms , 2018, Journal of Non-Crystalline Solids.

[23]  S. Ouaskit,et al.  Viscosity of Ar-Cu nanofluids by molecular dynamics simulations: Effects of nanoparticle content, temperature and potential interaction , 2018, Journal of Molecular Liquids.

[24]  Sandip Paul,et al.  Molecular Dynamic Simulations for the Extraction of Quinoline from Heptane in the Presence of a Low-Cost Phosphonium-Based Deep Eutectic Solvent. , 2018, The journal of physical chemistry. B.

[25]  J. Jacquemin,et al.  Understanding the heat capacity enhancement in ionic liquid-based nanofluids (ionanofluids) , 2018 .

[26]  A. V. Arasu,et al.  A comprehensive review of preparation, characterization, properties and stability of hybrid nanofluids , 2018 .

[27]  A. Rajabpour,et al.  Thermal conductivity and viscosity of nanofluids: A review of recent molecular dynamics studies , 2017 .

[28]  M. C. Costa Gomes,et al.  Deep eutectic solvents as green absorbents of volatile organic pollutants , 2017, Environmental Chemistry Letters.

[29]  Sandip Paul,et al.  Solubility of glucose in tetrabutylammonium bromide based deep eutectic solvents: Experimental and molecular dynamic simulations , 2017 .

[30]  C. Zou,et al.  Enhancement by SiC Nanoparticles of the Removal of Hydrogen Sulfide from Natural Gas by a Traditional Desulfurizer , 2017 .

[31]  Andrew S. Paluch,et al.  Cassandra: An open source Monte Carlo package for molecular simulation , 2017, J. Comput. Chem..

[32]  M. Koç,et al.  Critical Review on Nanofluids , 2016 .

[33]  Fei Liu,et al.  Enhanced CO2 Absorption and Desorption by Monoethanolamine (MEA)-Based Nanoparticle Suspensions , 2016 .

[34]  Tamal Banerjee,et al.  Interfacial insights on the dibenzo-based crown ether assisted cesium extraction in [BMIM][Tf2N]–water binary system , 2016, Journal of Radioanalytical and Nuclear Chemistry.

[35]  Farouq S. Mjalli,et al.  Simulation Based Insight into Solvation Properties of Ferric Chloride Based Eutectic Solvent , 2015 .

[36]  V. Goud,et al.  Solubility of glucose, xylose, fructose and galactose in ionic liquids: Experimental and theoretical studies using a continuum solvation model , 2015 .

[37]  Q. Ying,et al.  Formation of urban fine particulate matter. , 2015, Chemical reviews.

[38]  Z. Fakhroueian,et al.  Absorption and solubility measurement of CO2 in water-based ZnO and SiO2 nanofluids , 2015 .

[39]  Vishwanath H. Dalvi,et al.  Investigations of clustering of ions and diffusivity in concentrated aqueous solutions of lithium chloride by molecular dynamic simulations , 2015 .

[40]  N. Choi,et al.  Composite electrospun fly ash/polyurethane fibers for absorption of volatile organic compounds from air , 2013 .

[41]  J. J. Rodríguez,et al.  Optimized ionic liquids for toluene absorption , 2013 .

[42]  I. Marrucho,et al.  Deep eutectic solvents as extraction media for azeotropic mixtures , 2013 .

[43]  Barbara Kirchner,et al.  TRAVIS - a free analyzer and visualizer for Monte Carlo and molecular dynamics trajectories , 2011, Journal of Cheminformatics.

[44]  P. Cloirec,et al.  VOC absorption in a countercurrent packed-bed column using water/silicone oil mixtures: Influence of silicone oil volume fraction , 2011 .

[45]  P. Cloirec,et al.  Determination of partition coefficients of three volatile organic compounds (dimethylsulphide, dimethyldisulphide and toluene) in water/silicone oil mixtures , 2010 .

[46]  José Mario Martínez,et al.  PACKMOL: A package for building initial configurations for molecular dynamics simulations , 2009, J. Comput. Chem..

[47]  P. Cloirec,et al.  Determination of the Henry's constant and the mass transfer rate of VOCs in solvents , 2009 .

[48]  B. Han,et al.  Solubility of CO2 in a Choline Chloride + Urea Eutectic Mixture , 2008 .

[49]  S. Garrigues,et al.  Headspace-mass spectrometry determination of benzene, toluene and the mixture of ethylbenzene and xylene isomers in soil samples using chemometrics. , 2007, Analytica chimica acta.

[50]  P. Moulin,et al.  A new efficient absorption liquid to treat exhaust air loaded with toluene , 2006 .

[51]  Junmei Wang,et al.  Development and testing of a general amber force field , 2004, J. Comput. Chem..

[52]  David L Davies,et al.  Novel solvent properties of choline chloride/urea mixtures. , 2003, Chemical communications.

[53]  S. Phillpot,et al.  Comparison of atomic-level simulation methods for computing thermal conductivity , 2002 .

[54]  Raymond K. Rasheed,et al.  Preparation of novel, moisture-stable, Lewis-acidic ionic liquids containing quaternary ammonium salts with functional side chains. , 2001, Chemical communications.

[55]  Araz Jakalian,et al.  Fast, efficient generation of high‐quality atomic charges. AM1‐BCC model: I. Method , 2000 .

[56]  K Schulten,et al.  VMD: visual molecular dynamics. , 1996, Journal of molecular graphics.

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

[58]  Hoover,et al.  Canonical dynamics: Equilibrium phase-space distributions. , 1985, Physical review. A, General physics.

[59]  H. C. Andersen.  Rattle: A “velocity” version of the shake algorithm for molecular dynamics calculations , 1983 .