Origins of the Failure of the Activity Virial Series.

Autor: Kofke DA; Department of Chemical and Biological Engineering, University at Buffalo, The State University of New York, Buffalo, New York 14260, United States.

Publikováno v: The journal of physical chemistry. B [J Phys Chem B] 2023 Apr 27; Vol. 127 (16), pp. 3690-3700. Date of Electronic Publication: 2023 Apr 14.

Probabilistic computations of virial coefficients of polymeric structures described by rigid configurations of spherical particles: A fundamental extension of the ZENO program.

Autor: Bansal A; Department of Chemical and Biological Engineering, University at Buffalo, The State University of New York, Buffalo, New York 14260, USA., Schultz AJ; Department of Chemical and Biological Engineering, University at Buffalo, The State University of New York, Buffalo, New York 14260, USA., Douglas JF; Materials Science and Engineering Division, National Institute of Standards and Technology, Gaithersburg, Maryland 20899, USA., Kofke DA; Department of Chemical and Biological Engineering, University at Buffalo, The State University of New York, Buffalo, New York 14260, USA.

Publikováno v: The Journal of chemical physics [J Chem Phys] 2022 Dec 14; Vol. 157 (22), pp. 224801.

Evaluation of Osmotic Virial Coefficients via Restricted Gibbs Ensemble Simulations, with Support from Gas-Phase Mixture Coefficients.

Autor: Bansal A; Department of Chemical and Biological Engineering, University at Buffalo, The State University of New York, Buffalo, New York 14260-4200, United States., Schultz AJ; Department of Chemical and Biological Engineering, University at Buffalo, The State University of New York, Buffalo, New York 14260-4200, United States., Kofke DA; Department of Chemical and Biological Engineering, University at Buffalo, The State University of New York, Buffalo, New York 14260-4200, United States.

Publikováno v: The journal of physical chemistry. B [J Phys Chem B] 2021 Jul 08; Vol. 125 (26), pp. 7262-7272. Date of Electronic Publication: 2021 Jun 24.

Cluster integrals and virial coefficients for realistic molecular models.

Autor: Wheatley RJ; School of Chemistry, University of Nottingham, University Park, Nottingham NG7 2RD, United Kingdom., Schultz AJ; Department of Chemical and Biological Engineering, University at Buffalo, The State University of New York, Buffalo, New York 14260-4200, USA., Do H; Department of Chemical and Environmental Engineering, University of Nottingham Ningbo China, 199 Taikang East Road, Ningbo 315100, China., Gokul N; Department of Chemical and Biological Engineering, University at Buffalo, The State University of New York, Buffalo, New York 14260-4200, USA., Kofke DA; Department of Chemical and Biological Engineering, University at Buffalo, The State University of New York, Buffalo, New York 14260-4200, USA.

Publikováno v: Physical review. E [Phys Rev E] 2020 May; Vol. 101 (5-1), pp. 051301.

Transport properties of polydisperse hard-sphere fluid: effect of distribution shape and mass scaling.

Autor: Meitei, Thokchom Premkumar¹ (AUTHOR), Shagolsem, Lenin S¹ (AUTHOR) slenin2001@gmail.com

Publikováno v: Pramana: Journal of Physics. Jun2024, Vol. 98 Issue 2, p1-11. 11p.