Zobrazeno 1 - 10
of 19
pro vyhledávání: '"Sandip Khan"'
Autor:
Sashanka Sekhar Mandal, Sandip Khan
Publikováno v:
Molecular Physics.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::bf025ce40f565044af192bfb1c3b299c
https://doi.org/10.1080/00268976.2023.2206929
https://doi.org/10.1080/00268976.2023.2206929
Publikováno v:
Chemical Engineering Science. 277:118812
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::666c64eb05aa29e48a7060f11a802579
https://doi.org/10.1016/j.ces.2023.118812
https://doi.org/10.1016/j.ces.2023.118812
Publikováno v:
Journal of Molecular Liquids. 377:121482
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b9e5a8e71106f6f8d62ec2238b5009da
https://doi.org/10.1016/j.molliq.2023.121482
https://doi.org/10.1016/j.molliq.2023.121482
Autor:
Sandip Khan, Sanchari Bhattacharjee
Publikováno v:
Physical Chemistry Chemical Physics. 22:8595-8605
Aqueous ionic liquids are of particular interest due to their tunability of physical and chemical properties and a deeper understanding of their structure-property relationship is desired. Molecular dynamics (MD) simulations were conducted to study t
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::19a4c4494116f261401d8feff0c98fc4
https://doi.org/10.1039/d0cp00143k
https://doi.org/10.1039/d0cp00143k
Autor:
Sanchari Bhattacharjee, Sandip Khan
Publikováno v:
Physical chemistry chemical physics : PCCP. 24(3)
Molecular dynamics (MD) simulations were applied to investigate the wettability of aqueous hydrophilic and hydrophobic imidazolium-based ionic liquid (IL) nano-droplets on a graphite surface under a perpendicular electric field. Imminent transformati
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::434ee2d135561508a8a785f61dde91d4
https://pubmed.ncbi.nlm.nih.gov/34985472
https://pubmed.ncbi.nlm.nih.gov/34985472
Publikováno v:
Journal of Magnetism and Magnetic Materials. 564:170022
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::bd298598a42bdc877d760e894c8d4968
https://doi.org/10.1016/j.jmmm.2022.170022
https://doi.org/10.1016/j.jmmm.2022.170022
Publikováno v:
Journal of Environmental Chemical Engineering. 9:106665
Per- and polyfluoro alkyl substance (PFAS) is a class of emerging pollutants in various water streams in many countries of the world. PFAS compounds present a wide range of hazards and there is an increasing concern about the health impacts of humans
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::5797ff37634b27ea8f57fb5543fe7472
https://doi.org/10.1016/j.jece.2021.106665
https://doi.org/10.1016/j.jece.2021.106665
Autor:
Jindal K. Shah, Sandip Khan, Neeraj Rai, Edward J. Maginn, Thomas W. Rosch, Eliseo Marin-Rimoldi, L. L. Romanielo, Brian P. Keene, Brian Yoo, Ryan Gotchy Mullen, Andrew S. Paluch
Publikováno v:
Journal of Computational Chemistry. 38:1727-1739
Cassandra is an open source atomistic Monte Carlo software package that is effective in simulating the thermodynamic properties of fluids and solids. The different features and algorithms used in Cassandra are described, along with implementation det
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::1f4bd561a32922b15a2ece0cb03c9264
https://doi.org/10.1002/jcc.24807
https://doi.org/10.1002/jcc.24807
Publikováno v:
Fluid Phase Equilibria. 531:112909
Vapour-liquid phase equilibria of associating fluids under confinement are investigated using Grand-Canonical Transition Matrix Monte Carlo (GC-TMMC) method. Various properties of coexistence phases and critical properties are estimated for multiple
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::887389c6dc38515745da155f4c3d64f1
https://doi.org/10.1016/j.fluid.2020.112909
https://doi.org/10.1016/j.fluid.2020.112909
Publikováno v:
Chemical Engineering Science. 229:116078
Herein, molecular dynamics simulations have been conducted to investigate the effect of cation chain length on the wetting and interfacial properties of aqueous imidazolium-based ionic liquids (ILs) consisting of 1-ethyl-3-methylimidazolium [EMIM], 1
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::bf69d0c377d67b15575add9f3ebfc348
https://doi.org/10.1016/j.ces.2020.116078
https://doi.org/10.1016/j.ces.2020.116078