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Original Articles

Development of a model for the Description of Intra-diffusion in Homogeneous Liquid Lennard–Jones Mixtures

Pages 459-468 | Received 01 May 2003, Accepted 01 Feb 2004, Published online: 31 Jan 2007

References

  • Tyrrell HJV Harris KR 1984 Diffusion in Liquids Butterworths London
  • Heyes DM 1998 The Liquid State: Applications of Molecular Simulations Wiley New York
  • Liu , H , Silva , CM and Macedo , EA . 1998 . Unified approach to the self-diffusion coefficients of dense fluids over wide ranges of temperature and pressure—hard-sphere, square-well, Lennard-Jones and real substances . Chem. Eng. Sci. , 53 : 2403 – 2422 .
  • Silva , CM , Liu , H and Macedo , EA . 1998 . Models for self-diffusion coefficients of dense fluids, including hydrogen-bonding substances . Chem. Eng. Sci. , 53 : 2423 – 2429 .
  • Zhu , Yu. , Lu , X , Zhou , J , Whang , Y and Shi , J . 2002 . Prediction of diffusion coefficients for gas, liquid and supercritical fluid: application to pure real fluids and infinite dilute binary solutions based on the simulation of Lennard–Jones fluid . Fluid Phase Equilib. , 194–197 : 1141 – 1159 .
  • Yu , YX and Gao , GH . 1999 . Self-diffusion coefficient equation for polyatomic fluid . Fluid Phase Equilib. , 166 : 111 – 124 .
  • Dariva , C , Coelho , LAF and Oliveira , JV . 1999 . A kinetic approach for predicting diffusivities in dense fluid mixtures . Fluid Phase Equilib. , 158–160 : 1045 – 1054 .
  • Jacussi , G and Mc Donald , IR . 1975 . Structure and diffusion in mixtures of rare-gas liquids . Physika A , 80 : 607 – 625 .
  • Enninghorst , A , Waune , FD and Zeidler , MD . 1996 . Density dependence of self-diffusion in liquid pentanes and pentane mixtures . Molec. Phys. , 88 : 437 – 452 .
  • Bearman , RJ and Jolly , DL . 1981 . Mass dependence of the self diffusion coefficients in two equimolar binary Lennard–Jones systems determined through molecular dynamics simulation . Molec. Phys. , 44 : 665 – 675 .
  • Van den Berg , HP and Hoheisel , C . 1990 . Dynamic cross correlation in isotopic two-component liquids: molecular-dynamics calculation results compared with predictions of kinetic theory . Phys. Rev., A , 42 : 3368 – 3373 .
  • Schoen , M and Hoheisel , C . 1984 . The mutual diffusion coefficient D12 . Molec. Phys. , 52 : 33 – 56 .
  • Ebbsiö , I , Schofild , P , Sköld , K and Waller , I . 1974 . Diffusion in liquid mixtures of isotopes . J. Phys. C: Solid State Phys. , 7 : 3891 – 3908 .
  • Jacob , AC and Zeidler , MD . 2003 . Self-diffusion in binary mixtures: the system benzene/cyclohexane at high pressures . Phys. Chem. Chem. Phys. , 5 : 538 – 542 .
  • Kerl , K and Willeke , M . 1999 . Investigation of the mass dependence of self-diffusion coefficients by molecular dynamics calculations: binary and ternary isotopic mixtures of atoms . Molec. Phys. , 96 : 1169 – 1183 .
  • Kerl , K and Willeke , M . 1999 . Investigation of the mass dependence of self-diffusion coefficients by molecular dynamics calculations: binary non-isotopic mixtures of atoms . Molec. Phys. , 97 : 1255 – 1262 .
  • Asprey , SP , Macchietto , S and Pantelides , CC . 2000 . Robust optimal designs for dynamic experiments, Biegler LT, Brambilla A, Scali C . Proc. of ADCHEM'2000, , II : 869 – 874 .
  • Radon F 2002 Optimale, sequentielle Versuchsplanung von binären Dampf-Flüssig-Gleichgewichtsexperimenten Project Thesis Lehrstuhl für Prozesstechnik RWTH Aachen
  • Garbow BS Hillstrom KE More JJ 1980 Minpack Project Argonne National Laboratory Argonne, IL, USA
  • Allen MP Tildesley DJ 1987 Computer Simulation of Liquids Clarendon Press Oxford

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