The Nanoscale Wetting Parameter and Its Role in Interfacial Phenomena: Phase Transitions in Nanopores.

Autor: An R; Department of Chemical & Biomolecular Engineering, North Carolina State University, 911 Partners' Way, Raleigh, North Carolina 27695-7905, United States.; School of Materials Science and Engineering/Herbert Gleiter Institute of Nanoscience, Nanjing University of Science and Technology, Nanjing 210094, China., Addington CK; Department of Chemical & Biomolecular Engineering, North Carolina State University, 911 Partners' Way, Raleigh, North Carolina 27695-7905, United States.; U.S. E.P.A., Center for Computational Toxicology & Exposure, Office of Research & Development, Research Triangle Park, North Carolina 27711, United States., Long Y; Department of Chemical & Biomolecular Engineering, North Carolina State University, 911 Partners' Way, Raleigh, North Carolina 27695-7905, United States.; College of Computing, Georgia Institute of Technology, 801 Atlantic Drive, Atlanta, Georgia 30318, United States., Rotnicki K; Faculty of Physics, Adam Mickiewicz University, Umultowska 85, Poznan 61-614, Poland., Śliwinska-Bartkowiak M; Faculty of Physics, Adam Mickiewicz University, Umultowska 85, Poznan 61-614, Poland., Thommes M; Department of Chemical & Bioengineering, Friedrich-Alexander Universitaet Erlangen-Nurernberg, Erlangen 91058, Germany., Gubbins KE; Department of Chemical & Biomolecular Engineering, North Carolina State University, 911 Partners' Way, Raleigh, North Carolina 27695-7905, United States.

Publikováno v: Langmuir : the ACS journal of surfaces and colloids [Langmuir] 2023 Dec 26; Vol. 39 (51), pp. 18730-18745. Date of Electronic Publication: 2023 Dec 14.

3D assembly of Janus spheres: potentials, dynamics, and experiments.

Autor: Chung, Stephen^1,2 (AUTHOR), Safaei, Sina³ (AUTHOR), Willmott, Geoff R.^1,2,4 (AUTHOR) g.willmott@auckland.ac.nz

Publikováno v: Advances in Physics: X. Dec2024, Vol. 9 Issue 1, p1-29. 29p.

Probing atomic-scale processes at the ferrihydrite-water interface with reactive molecular dynamics.

Autor: Hayatifar, Ardalan¹ (AUTHOR) ardalan.hayatifar@usask.ca, Gravelle, Simon² (AUTHOR), Moreno, Beatriz D.³ (AUTHOR), Schoepfer, Valerie A.¹ (AUTHOR), Lindsay, Matthew B. J.¹ (AUTHOR) matt.lindsay@usask.ca

Publikováno v: Geochemical Transactions. 10/26/2024, Vol. 25 Issue 1, p1-14. 14p.

The Young-Laplace equation for a solid-liquid interface.

Autor: Montero de Hijes P; Faculty of Chemistry, Chemical Physics Department, Universidad Complutense de Madrid, Plaza de las Ciencias, Ciudad Universitaria, Madrid 28040, Spain., Shi K; Department of Chemical and Biomolecular Engineering, North Carolina State University, Raleigh, North Carolina 27606, USA., Noya EG; Instituto de Química Física Rocasolano, Consejo Superior de Investigaciones Científicas, CSIC, Calle Serrano 119, 28006 Madrid, Spain., Santiso EE; Department of Chemical and Biomolecular Engineering, North Carolina State University, Raleigh, North Carolina 27606, USA., Gubbins KE; Department of Chemical and Biomolecular Engineering, North Carolina State University, Raleigh, North Carolina 27606, USA., Sanz E; Faculty of Chemistry, Chemical Physics Department, Universidad Complutense de Madrid, Plaza de las Ciencias, Ciudad Universitaria, Madrid 28040, Spain., Vega C; Faculty of Chemistry, Chemical Physics Department, Universidad Complutense de Madrid, Plaza de las Ciencias, Ciudad Universitaria, Madrid 28040, Spain.

Publikováno v: The Journal of chemical physics [J Chem Phys] 2020 Nov 21; Vol. 153 (19), pp. 191102.

Enhancing Gas Solubility in Nanopores: A Combined Study Using Classical Density Functional Theory and Machine Learning.

Autor: Qiao C; State Key Laboratory of Chemical Engineering and School of Chemical Engineering, East China University of Science and Technology, Shanghai 200237, China., Yu X; State Key Laboratory of Chemical Engineering and School of Chemical Engineering, East China University of Science and Technology, Shanghai 200237, China., Song X; State Key Laboratory of Chemical Engineering and School of Chemical Engineering, East China University of Science and Technology, Shanghai 200237, China., Zhao T; State Key Laboratory of Chemical Engineering and School of Chemical Engineering, East China University of Science and Technology, Shanghai 200237, China., Xu X; State Key Laboratory of Chemical Engineering and School of Chemical Engineering, East China University of Science and Technology, Shanghai 200237, China., Zhao S; State Key Laboratory of Chemical Engineering and School of Chemical Engineering, East China University of Science and Technology, Shanghai 200237, China.; Guangxi Key Laboratory of Petrochemical Resource Processing and Process Intensification Technology and School of Chemistry and Chemical Engineering, Guangxi University, Nanning 530004, China., Gubbins KE; Department of Chemical & Biomolecular Engineering, North Carolina State University, Raleigh, North Carolina 27695-7905, United States.

Publikováno v: Langmuir : the ACS journal of surfaces and colloids [Langmuir] 2020 Jul 28; Vol. 36 (29), pp. 8527-8536. Date of Electronic Publication: 2020 Jul 14.