Concepedia

Phase Equilibria Simulation

Phase Equilibria Simulation is a computational methodology within molecular simulation that specifically models the thermodynamic equilibrium conditions between distinct phases of matter by simulating molecular interactions and predicting phase coexistence properties.

705

Publications

50.9K

Citations

1.6K

Authors

563

Institutions

Publications per year

2017–2026

137

Parents

Publications

705

CRC Handbook of Chemistry and Physics

Devendra Leena P · Journal of Molecular Structure · 1992 · 9.4K citations

, , +12

Transferable Potentials for Phase Equilibria. 1. United-Atom Description of <i>n</i>-Alkanes

Marcus G. Martin, J. Ilja Siepmann · The Journal of Physical Chemistry B · 1998 · 2.9K citations

, , +17

Computation of phase equilibria by linear programming: A tool for geodynamic modeling and its application to subduction zone decarbonation

J. A. D. Connolly · Earth and Planetary Science Letters · 2005 · 2.2K citations

, , +11

Novel Configurational-Bias Monte Carlo Method for Branched Molecules. Transferable Potentials for Phase Equilibria. 2. United-Atom Description of Branched Alkanes

Marcus G. Martin, J. Ilja Siepmann · The Journal of Physical Chemistry B · 1999 · 908 citations

, , +17

Monte Carlo Calculations for Alcohols and Their Mixtures with Alkanes. Transferable Potentials for Phase Equilibria. 5. United-Atom Description of Primary, Secondary, and Tertiary Alcohols

Bin Chen, Jeffrey J. Potoff, J. Ilja Siepmann · The Journal of Physical Chemistry B · 2001 · 833 citations

, , +17

1–5 of 705

Authors

1.6K

  1. JI
    J. Ilja Siepmann

    University of Minnesota, United States

    40 publications · 8.6K citations

    30

    h-index

  2. AZ
    Athanassios Z. Panagiotopoulos

    Princeton University, United States

    20 publications · 2K citations

    19

    h-index

  3. JJ
    Jeffrey J. Potoff

    Wayne State University, United States

    13 publications · 1.8K citations

    13

    h-index

  4. JP
    Juan Pablo

    University of Wisconsin–Madison, United States

    11 publications · 919 citations

    11

    h-index

  5. MG
    Marcus G. Martin

    University of Minnesota, United States

    11 publications · 5.3K citations

    11

    h-index

1–5 of 1.6K

Institutions

563

  1. University of Minnesota

    Minneapolis, United States

    30 h-index

    107 publications

    21.5K citations

  2. Centre National de la Recherche Scientifique

    Paris, France

    24 h-index

    81 publications

    3.4K citations

  3. Cornell University

    Ithaca, United States

    23 h-index

    62 publications

    4.3K citations

  4. IFP Énergies nouvelles

    Rueil-Malmaison, France

    16 h-index

    41 publications

    2K citations

  5. University of Wisconsin–Madison

    Madison, United States

    13 h-index

    40 publications

    2.5K citations

  6. National Technical University of Athens

    Athens, Greece

    13 h-index

    44 publications

    3.1K citations

  7. Delft University of Technology

    Delft, The Netherlands

    12 h-index

    57 publications

    2.4K citations

  8. Wayne State University

    Detroit, United States

    11 h-index

    36 publications

    2.7K citations

1–8 of 563

Venues

  1. The Journal of Chemical Physics

    71 publications · 4.2K citations

    38

    h-index

  2. The Journal of Physical Chemistry B

    54 publications · 9.5K citations

    37

    h-index

  3. Fluid Phase Equilibria

    96 publications · 3.1K citations

    31

    h-index

  4. Molecular Physics

    51 publications · 2.8K citations

    29

    h-index

  5. Molecular Simulation

    27 publications · 1.5K citations

    20

    h-index

1–5