Effect of TiO2 nanoparticles on the mass transfer process of absorption of toluene: experimental investigation and molecular dynamics simulation
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Lanyi Sun | Xiaoyu Hao | Q. Yi | Haojie Dong | Xinnong Li
[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 .