Selected Publications:

Liquid State Statistical Mechanics

  • M. Lupkowski and P. A. Monson, "Cluster Perturbation Theory for Interaction Site fluids”, J. Chem. Phys., 87, 3618-3629 (1987).

  • E. M. Sevick, P. A. Monson and J. M. Ottino, "Monte Carlo calculations of cluster statistics in continuum models of composite morphology ", J. Chem. Phys., 88, 1198-1206 (1988).

  • P. A. Monson and G. P. Morriss, "Recent progress in the statistical mechanics of interaction site fluids", Advances in Chemical Physics, 77, 451-550 (1990).

  • D. B. McGuigan and P. A. Monson, "Analysis of infinite dilution partial molar volumes using a distribution function theory", Fluid Phase Equilibria, 57, 227-247 (1990).


Solid-Fluid and Solid-Solid Systems
  • C. Vega, E. P. A. Paras and P. A. Monson, "Solid-Fluid Equilibria of Hard Dumbbells via Monte Carlo Simulation", J. Chem. Phys., 96, 9060-9072 (1992)

  • C. Vega, E. P. A. Paras and P. A. Monson, "On the stability of the plastic crystal phase of hard dumbbell solids", J. Chem. Phys., 97, 8543-8548 (1992)

  • E. P. A. Paras, C. Vega and P. A. Monson, "A generalized van der Waals theory for solid-fluid equilibria in systems with non spherical molecules", Molec. Phys., 79, 1063-1072 (1993)

  • C. Vega and P. A. Monson, “Solid-fluid equilibrium in a molecular model with short range directional forces”, J. Chem. Phys., 109, 9938-9949 (1998)

  • A. Malanoski and P. A. Monson, “Solid-fluid equilibrium in molecular models of n-alkanes”, J. Chem. Phys., 110, 664-675 (1999)

  • X. Cottin and P. A. Monson, "Substitutionally ordered solid solutions of hard spheres", J. Chem. Phys., 102, 3354-3360 (1995)

  • P. A. Monson and D. A. Kofke, Solid-Fluid equilibrium: Insights from simple molecular models, Adv. Chem. Phys., 115, 113-179 (2000)

  • T. Gruhn and P. A. Monson, “Molecular dynamics simulations of hard sphere solidification at constant pressure”, Phys. Rev. E. , 64, 061703 (2001)

  • J. Schroer and P. A. Monson, “Understanding congruent melting in binary solids: a molecular model of benzene-hexafluorobenzene mixtures”, J. Chem. Phys., 118 2815-2823 (2003)

  • M. Cao and P. A. Monson, “Studies of the phase behavior of a simple model of chiral molecules and enantiomeric mixtures, J. Chem. Phys., 122, 054505 (2005)

  • S. Wierzchowski and P. A. Monson, “Calculating the phase behavior of gas hydrate forming systems from molecular models”, I.&.E.C. Research, 45, 424-431 (2006)

  • S. Punnathanam and P. A. Monson, “Monte Carlo simulations of crystal nucleation in binary hard sphere mixtures”, J. Chem. Phys., 25, 024508 (2006)

  • S. J. Wierzchowski and P. A. Monson, “Calculation of free energies and chemical potentials for gas hydrates using Monte Carlo simulations”, J. Phys. Chem. B, 111, 15976-15981 (2007)

  • P. A. Monson, “Molecular Thermodynamics of Solid-Fluid and Solid-Solid Equilibria”, A.I.Ch.E. J., 54, 1122-1128 (2008)


Adsorption and Wetting Phenomena
  • J. Finn and P. A. Monson, "Adsorption equilibrium in an isobaric ensemble", Molec. Phys., 65, 1345-1361 (1988)

  • J. E. Finn and P. A. Monson, "Prewetting at a fluid-solid interface via Monte Carlo simulation, Phys. Rev. A., 39, 6402-6407 (1989).

  • Y. Fan, J. E. Finn and P. A. Monson, "A Monte Carlo simulation study of Adsorption from a liquid mixture at states near liquid-liquid coexistence", J. Chem. Phys., 99, 8238-8243 (1993)

  • J. Shen and P. A. Monson, “A molecular model of adsorption in a dilute semi-flexible network”, Molec. Phys., 100, 2031-2039 (2002)

  • F. Porcheron, and P. A. Monson. “Mean field theory for liquid droplets on roughened solid surfaces: application to superhydrophobicity”, Langmuir, 22, 1595-1601 (2006)

  • A. L. Myers and P. A. Monson, “Physical Adsorption on Solids: The Case for Absolute Adsorption as the Basis for Thermodynamic Analysis”, Adsorption, 20, 591-622 (2014)


Fluids Confined in Porous Materials
  • P. A. Monson, "The Properties of Inhomogeneous Square Well Mixtures in One Dimension", Molec. Phys., 70, 401-423 (1990).

  • R. D. Kaminsky and P. A. Monson, "The influence of Adsorbent Microstructure upon Adsorption Equilibrium: Investigations of a Model System", J. Chem. Phys., 95, 2936-2948 (1991)

  • Y. Fan, E. Kierlik, P. A. Monson and M. L. Rosinberg, "Liquid-liquid coexistence in a slit pore: Monte Carlo simulation and mean field density functional theory", J. Chem. Phys., 102, 3712-3719 (1995)

  • K. S. Page and P. A. Monson, "Monte Carlo calculations of phase diagrams for a fluid confined in a disordered porous material", Phys. Rev. E., 54, 6557-6564 (1996)

  • E. Kierlik, M. L. Rosinberg, G. Tarjus and P. A. Monson, "Phase diagrams of single component fluids in disordered porous materials. Predictions from integral equation theory", J. Chem. Phys., 106, 264-279 (1997)

  • T. J. Barton, L. M. Bull, W. G. Klemperer, D. A. Loy, B. McEnaney, M. Misono, P. A. Monson, G. Pez, G. W. Scherer, J. C. Vartuli and O. Yagchi, “Tailored Porous Materials”, Chem. Mater., 11, 2633-2656 (1999)

  • L. Sarkisov and P. A. Monson, “Hysteresis in Monte Carlo and molecular dynamics simulations of adsorption in porous materials”, Langmuir, 16, 9857-9860 (2000)

  • E. Kierlik , P. A. Monson, M. L. Rosinberg, L. Sarkisov and G. Tarjus, “Capillary condensation in disordered porous materials: hysteresis versus equilibrium behavior.”, Phys. Rev. Lett., 87, 055701 (2001)

  • L. Sarkisov and P. A. Monson, “Modeling of adsorption and desorption in pores of simple geometry using molecular dynamics”, Langmuir, 17, 7600-7604 (2001)

  • A. L. Myers and P. A. Monson, “Adsorption in Porous Materials at High Pressure: Theory and Experiment”, Langmuir, 18, 10261-10273 (2002)

  • H-J. Woo and P. A. Monson, “Phase behavior and dynamics of fluids in mesoporous glasses”, Phys. Rev. E, 67, 041207 (2003)

  • F. Porcheron, P. A. Monson and M. Thommes. “Modeling Mercury Porosimetry using Statistical Mechanics”, Langmuir, 20, 6482-6489 (2004)

  • J. Liu and P. A. Monson, “Does Water Condense in Carbon Pores ?”, Langmuir, 21, 10219-10225 (2005)

  • R. Valiullin, S. Naumov, P. Galvosas, J. Kärger, H-J. Woo, F. Porcheron and P. A. Monson, “Exploration of Molecular Dynamics during Transient Sorption of Fluids in Mesoporous Materials”, Nature, 443, 965-968 (2006)

  • P. A. Monson, “Mean field kinetic theory for a lattice gas model of fluids confined in porous materials”, J. Chem. Phys., 128, 084701 (2008)

  • P. A. Monson, “Contact angles, pore condensation and hysteresis: Insights from a simple molecular model”, Langmuir, 24, 12295-12302 (2008)

  • J. R. Edison and P. A. Monson, “Dynamic mean field theory of condensation and evaporation processes for fluids in porous materials: Application to partial drying and drying”, Faraday Discussions, 146, 167-184 (2010)

  • J. Edison and P. A. Monson, “Dynamic Mean Field Theory for Fluids confined in porous materials: HIgher order approximation based on the Bethe-Peierls approximation and the Path Probability Method”, J. Chem. Phys., 141, 024706 (2014)

  • D. Schneider, R. Valiullin and P. A. Monson, “Filling Dynamics of Closed End Nanocapillaries, Langmuir, 30, 1290-1294 (2014)

  • S. Kikkinides and P. A. Monson, “Dynamic Density Functional Theory with Hydrodynamic Interactions: Theoretical Development and Application in the Study of Phase Separation in Gas-Liquid Systems”, J. Chem. Phys., 142, 094706 (2015)



Modeling Self-assembly of Nanoporous Materials
  • R. Astala, S. M. Auerbach, and P. A. Monson, “Density Functional Theory Study of Silica Zeolite Structures: Stabilities and Mechanical Properties of SOD, LTA, CHA, MOR, and MFI”, J. Phys. Chem. B., 108, 9208-9215 (2004)

  • M. Ford, S. M. Auerbach and P. A. Monson, “On the mechanical properties and phase behavior of silica: A simple model based on low coordination and strong association, J. Chem. Phys., 121, 8415-8422 (2004)

  • M. Jorge, S. Auerbach and P. A. Monson, “Modeling Spontaneous Formation of Precursor Nanoparticles in Clear-Solution Zeolite Synthesis”, J. Am. Chem. Soc., 127, 14388-14400 (2005)

  • L. Jin, S. M. Auerbach and P. A. Monson, “Modeling Nanoparticle Formation during Early Stages of Zeolite Growth: A Low-Coordination Lattice Model of Template Penetration”, J. Phys. Chem. C, 114, 14393-14401 (2010)

  • A. Malani, S. M. Auerbach and P. A. Monson, “Probing the Mechanism of Silica Polymerization at Ambient Temperatures using Monte Carlo Simulations”, J. Phys. Chem. Letters, 1, 3219-3224 (2010)

  • L. Jin, S. M. Auerbach and P. A. Monson, “Modeling three-dimensional network formation with an atomic lattice model: Application to silicic acid polymerization”, J. Chem. Phys., 134, 134703 (2011)

  • A. Malani, S. M. Auerbach and P. A. Monson, “Monte Carlo Simulations of Silica Polymerization and Network Formation”, J. Phys. Chem. C, 115, 15988–16000 (2011)

  • L. Jin, S. M. Auerbach and P. A. Monson, “Emergence of Zeolite Analogs and other Microporous Crystals in an Atomic Lattice Model of Silica and Related Materials”, J. Phys. Chem. Letters, 3, 761-765 (2012)

  • L. Jin, S. M. Auerbach and P. A. Monson, “Simulating the Formation of Surfactant-Templated Mesoporous Silica Materials: A Model with Both Surfactant Self-Assembly and Silica Polymerization”, Langmuir, 29, 766-780 (2013)

  • M. N. Khan, S. M. Auerbach and P. A. Monson, “Lattice model for Silica Polymerization: Monte Carlo Simulations of the Transition between Gel and Nanoparticle Phases”, J. Phys. Chem. C, 118, 10989-10999 (2014)

  • S. M. Auerbach, W. Fan and P. A. Monson, “Modeling the Assembly of Nanoporous Silica Materials”, International Reviews in Physical Chemistry, 34, 35-70 (2015)