Mutual and Thermal Diffusivities in Binary Mixtures of n-Hexane or 1-Hexanol with Krypton, R143a, or Sulfur Hexafluoride by Using Dynamic Light Scattering and Molecular Dynamics Simulations

[1]  A. P. Fröba,et al.  Solubility and Liquid Density of Binary Mixtures of n-Hexane or 1-Hexanol with Krypton, Sulfur Hexafluoride, or R143a , 2023, Journal of Chemical & Engineering Data.

[2]  A. P. Fröba,et al.  Diffusivities in Binary Mixtures of Cyclohexane or Ethyl Butanoate with Dissolved CH4 or R143a Close to Infinite Dilution , 2023, Journal of Chemical & Engineering Data.

[3]  A. P. Fröba,et al.  Mutual and Thermal Diffusivities in Mixtures of Cyclohexane, n-Hexadecane, n-Octacosane, or n-Hexanoic Acid with Carbon Dioxide Obtained by Dynamic Light Scattering and Molecular Dynamics Simulations , 2022, Journal of Chemical & Engineering Data.

[4]  A. P. Fröba,et al.  Diffusivities in Binary Mixtures of n-Decane, n-Hexadecane, n-Octacosane, 2-Methylpentane, 2,2-Dimethylbutane, Cyclohexane, Benzene, Ethanol, 1-Decanol, Ethyl Butanoate, or n-Hexanoic Acid with Dissolved He or Kr Close to Infinite Dilution , 2022, Journal of Chemical & Engineering Data.

[5]  J. Trusler,et al.  Modelling the Diffusion Coefficients of Dilute Gaseous Solutes in Hydrocarbon Liquids , 2021, International Journal of Thermophysics.

[6]  A. P. Fröba,et al.  Fick Diffusion Coefficient in Binary Mixtures of [HMIM][NTf2] and Carbon Dioxide by Dynamic Light Scattering and Molecular Dynamics Simulations. , 2021, The journal of physical chemistry. B.

[7]  A. P. Fröba,et al.  Diffusivities in Binary Mixtures of n-Hexane or 1-Hexanol with Dissolved CH4, Ne, Kr, R143a, SF6, or R236fa Close to Infinite Dilution , 2021 .

[8]  A. P. Fröba,et al.  Diffusivities in Binary Mixtures of [AMIM][NTf2] Ionic Liquids with the Dissolved Gases H2, He, N2, CO, CO2, or Kr Close to Infinite Dilution , 2020 .

[9]  A. P. Fröba,et al.  Characterization of Long Linear and Branched Alkanes and Alcohols for Temperatures up to 573.15 K by Surface Light Scattering and Molecular Dynamics Simulations. , 2020, The journal of physical chemistry. B.

[10]  A. P. Fröba,et al.  Mutual and Thermal Diffusivities as Well as Fluid-Phase Equilibria of Mixtures of 1-Hexanol and Carbon Dioxide. , 2020, The journal of physical chemistry. B.

[11]  A. P. Fröba,et al.  Liquid Viscosity and Surface Tension of n-Hexane, n-Octane, n-Decane, and n-Hexadecane up to 573 K by Surface Light Scattering (SLS). , 2019, Journal of chemical and engineering data.

[12]  A. P. Fröba,et al.  Diffusivities in 1-Alcohols Containing Dissolved H2, He, N2, CO, or CO2 Close to Infinite Dilution. , 2019, The journal of physical chemistry. B.

[13]  A. P. Fröba,et al.  Thermal and mutual diffusivities of fuel-related binary liquid mixtures under pre-combustion conditions , 2019, Fuel.

[14]  Wenchang Wu,et al.  Influence of Liquid Structure on Fickian Diffusion in Binary Mixtures of n-Hexane and Carbon Dioxide Probed by Dynamic Light Scattering, Raman Spectroscopy, and Molecular Dynamics Simulations. , 2018, The journal of physical chemistry. B.

[15]  A. P. Fröba,et al.  Thermal, Mutual, and Self-Diffusivities of Binary Liquid Mixtures Consisting of Gases Dissolved in n-Alkanes at Infinite Dilution. , 2018, The journal of physical chemistry. B.

[16]  A. Laesecke,et al.  Wide-ranging Absolute Viscosity Measurements of Sub- and Supercritical 1,1,1-trifluoroethane (R143a). , 2018, Journal of molecular liquids.

[17]  A. P. Fröba,et al.  Thermal and Mutual Diffusivity of Binary Mixtures of n-Dodecane and n-Tetracontane with Carbon Monoxide, Hydrogen, and Water from Dynamic Light Scattering (DLS) , 2016 .

[18]  Kristyna Pluhackova,et al.  Extension of the LOPLS-AA Force Field for Alcohols, Esters, and Monoolein Bilayers and its Validation by Neutron Scattering Experiments. , 2015, The journal of physical chemistry. B.

[19]  Berk Hess,et al.  GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers , 2015 .

[20]  M. Allendorf,et al.  Molecular dynamics simulation of framework flexibility effects on noble gas diffusion in HKUST-1 and ZIF-8 , 2014 .

[21]  Q. Fei,et al.  Bioconversion of natural gas to liquid fuel: opportunities and challenges. , 2014, Biotechnology advances.

[22]  A. P. Fröba,et al.  Mutual and thermal diffusivity of binary mixtures of the ionic liquids [BMIM][C(CN)3] and [BMIM][B(CN)4] with dissolved CO2 by dynamic light scattering. , 2014, The journal of physical chemistry. B.

[23]  Zoi A. Makrodimitri,et al.  Simultaneous determination of thermal and mutual diffusivity of binary mixtures of n-octacosane with carbon monoxide, hydrogen, and water by dynamic light scattering. , 2014, The journal of physical chemistry. B.

[24]  Duncan Poole,et al.  Routine Microsecond Molecular Dynamics Simulations with AMBER on GPUs. 2. Explicit Solvent Particle Mesh Ewald. , 2013, Journal of chemical theory and computation.

[25]  F. G. Fernández,et al.  Photobioreactors for the production of microalgae , 2013 .

[26]  R. Böckmann,et al.  Optimization of the OPLS-AA Force Field for Long Hydrocarbons. , 2012, Journal of chemical theory and computation.

[27]  A. Leipertz,et al.  Thermophysical Properties of the Refrigerant Mixtures R417A and R417B from Dynamic Light Scattering (DLS) , 2012 .

[28]  André Bardow,et al.  Predictive Darken Equation for Maxwell-Stefan Diffusivities in Multicomponent Mixtures , 2011 .

[29]  J. Samios,et al.  Molecular force field investigation for Sulfur Hexafluoride: A computer simulation study , 2010 .

[30]  C. Nieto‐Draghi,et al.  Diffusion coefficients in CO2/n-alkane binary liquid mixtures by molecular simulation. , 2008, The journal of physical chemistry. B.

[31]  Heiko Kremer,et al.  Thermophysical Properties of a Refrigerant Mixture of R365mfc (1,1,1,3,3-Pentafluorobutane) and Galden® HT 55 (Perfluoropolyether) , 2007 .

[32]  Sunggyu Lee,et al.  Liquid phase methanol and dimethyl ether synthesis from syngas , 2005 .

[33]  W. L. Jorgensen,et al.  Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids , 1996 .

[34]  T. Darden,et al.  Particle mesh Ewald: An N⋅log(N) method for Ewald sums in large systems , 1993 .

[35]  R. Pecora Dynamic Light Scattering , 1985 .

[36]  William L. Jorgensen,et al.  Optimized intermolecular potential functions for liquid hydrocarbons , 1984 .

[37]  P. H. van Konynenburg,et al.  Critical lines and phase equilibria in binary van der Waals mixtures , 1980, Philosophical Transactions of the Royal Society of London. Series A, Mathematical and Physical Sciences.

[38]  D. Himmelblau Diffusion of Dissolved Gases in Liquids , 1964 .

[39]  C. Wilke,et al.  Correlation of diffusion coefficients in dilute solutions , 1955 .