List of works - Daniel W Siderius

Adsorption, X-ray Diffraction, Photoelectron, and Atomic Emission Spectroscopy Benchmark Studies for the Eighth Industrial Fluid Properties Simulation Challenge.

scientific article published on 27 January 2016

Best Practices for Quantification of Uncertainty and Sampling Quality in Molecular Simulations [Article v1.0]

scientific article published on 27 October 2018

Connection Between Thermodynamics and Dynamics of Simple Fluids in Pores: Impact of Fluid-Fluid Interaction Range and Fluid-Solid Interaction Strength.

scientific article published on 5 July 2017

Connection between thermodynamics and dynamics of simple fluids in highly attractive pores.

scientific article published on 14 November 2013

Data-Driven Matching of Experimental Crystal Structures and Gas Adsorption Isotherms of Metal–Organic Frameworks

scientific article published on 17 February 2022

Elucidating the effects of adsorbent flexibility on fluid adsorption using simple models and flat-histogram sampling methods

scientific article published in June 2014

Extension of scaled particle theory to inhomogeneous hard particle fluids. II. Theory and simulation of fluid structure surrounding a cavity that intersects a hard wall.

scientific article published on 25 March 2005

Extension of scaled particle theory to inhomogeneous hard particle fluids. III. Entropic force exerted on a cavity that intersects a hard wall.

scientific article published on 11 January 2007

Extension of scaled particle theory to inhomogeneous hard particle fluids. IV. Cavity growth at any distance relative to a planar hard wall

scientific article published on 22 March 2011

Extension of the Steele 10-4-3 potential for adsorption calculations in cylindrical, spherical, and other pore geometries ⬇️

scientific article published on August 28, 2011

Modulus-pressure equation for confined fluids ⬇️

scientific article published on October 2016

Molecular simulation of capillary phase transitions in flexible porous materials

scientific article published on 01 March 2018

On the generalized equipartition theorem in molecular dynamics ensembles and the microcanonical thermodynamics of small systems.

scientific article

On the line tension of curved boundary layers. I. boundary thermodynamics

scientific article published on 01 October 2009

On the use of multiple interpolation functions in scaled particle theory to improve the predictions of the properties of the hard-sphere fluid.

scientific article published in October 2007

Osmotic virial coefficients for model protein and colloidal solutions: importance of ensemble constraints in the analysis of light scattering data.

scientific article

Position-Dependent Dynamics Explain Pore-Averaged Diffusion in Strongly Attractive Adsorptive Systems.

scientific article published on 10 November 2017

Predicting gas adsorption in complex microporous and mesoporous materials using a new density functional theory of finely discretized lattice fluids

scientific article published on 01 February 2009

Quasi-Two-Dimensional Phase Transition of Methane Adsorbed in Cylindrical Silica Mesopores.

scientific article published on 29 November 2017

Relation between pore size and the compressibility of a confined fluid. ⬇️

scientific article

Relationship between Pore-size Distribution and Flexibility of Adsorbent Materials: Statistical Mechanics and Future Material Characterization Techniques.

scientific article published on 30 March 2017

Structure, thermodynamics, and solubility in tetromino fluids.

scientific article

The Eighth Industrial Fluids Properties Simulation Challenge

scientific article published on February 2016

Thermodynamic and structural properties of finely discretized on-lattice hard-sphere fluids: Virial coefficients, free energies, and direct correlation functions.

scientific article published in August 2009

Time-dependent CO2 sorption hysteresis in a one-dimensional microporous octahedral molecular sieve

scientific article published on 26 April 2012

Understanding Material Characteristics through Signature Traits from Helium Pycnometry

scientific article published on 30 January 2019

List of works by Daniel W Siderius

Adsorption, X-ray Diffraction, Photoelectron, and Atomic Emission Spectroscopy Benchmark Studies for the Eighth Industrial Fluid Properties Simulation Challenge.

Best Practices for Quantification of Uncertainty and Sampling Quality in Molecular Simulations [Article v1.0]

Connection Between Thermodynamics and Dynamics of Simple Fluids in Pores: Impact of Fluid-Fluid Interaction Range and Fluid-Solid Interaction Strength.

Connection between thermodynamics and dynamics of simple fluids in highly attractive pores.

Data-Driven Matching of Experimental Crystal Structures and Gas Adsorption Isotherms of Metal–Organic Frameworks

Elucidating the effects of adsorbent flexibility on fluid adsorption using simple models and flat-histogram sampling methods

Extension of scaled particle theory to inhomogeneous hard particle fluids. II. Theory and simulation of fluid structure surrounding a cavity that intersects a hard wall.

Extension of scaled particle theory to inhomogeneous hard particle fluids. III. Entropic force exerted on a cavity that intersects a hard wall.

Extension of scaled particle theory to inhomogeneous hard particle fluids. IV. Cavity growth at any distance relative to a planar hard wall

Extension of the Steele 10-4-3 potential for adsorption calculations in cylindrical, spherical, and other pore geometries ⬇️

Modulus-pressure equation for confined fluids ⬇️

Molecular simulation of capillary phase transitions in flexible porous materials

On the generalized equipartition theorem in molecular dynamics ensembles and the microcanonical thermodynamics of small systems.

On the line tension of curved boundary layers. I. boundary thermodynamics

On the use of multiple interpolation functions in scaled particle theory to improve the predictions of the properties of the hard-sphere fluid.

Osmotic virial coefficients for model protein and colloidal solutions: importance of ensemble constraints in the analysis of light scattering data.

Position-Dependent Dynamics Explain Pore-Averaged Diffusion in Strongly Attractive Adsorptive Systems.

Predicting gas adsorption in complex microporous and mesoporous materials using a new density functional theory of finely discretized lattice fluids

Quasi-Two-Dimensional Phase Transition of Methane Adsorbed in Cylindrical Silica Mesopores.

Relation between pore size and the compressibility of a confined fluid. ⬇️

Relationship between Pore-size Distribution and Flexibility of Adsorbent Materials: Statistical Mechanics and Future Material Characterization Techniques.

Structure, thermodynamics, and solubility in tetromino fluids.

The Eighth Industrial Fluids Properties Simulation Challenge

Thermodynamic and structural properties of finely discretized on-lattice hard-sphere fluids: Virial coefficients, free energies, and direct correlation functions.

Time-dependent CO2 sorption hysteresis in a one-dimensional microporous octahedral molecular sieve

Understanding Material Characteristics through Signature Traits from Helium Pycnometry