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)