FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2001187016> ?p ?o ?g. }

• W2001187016 endingPage "11478" @default.
• W2001187016 startingPage "11463" @default.
• W2001187016 abstract "A many-body polarizable force field has been developed and validated for ionic liquids (ILs) containing 1-methyl-3-alkylimidazolium, 1-alkyl-2-methyl-3-alkylimidazolium, N-methyl-N-alkylpyrrolidinium, N-alkylpyridinium, N-alkyl-N-alkylpiperidinium, N-alkyl-N-alkylmorpholinium, tetraalkylammonium, tetraalkylphosphonium, N-methyl-N-oligoetherpyrrolidinium cations and BF(4)(-), CF(3)BF(3)(-), CH(3)BF(3)(-), CF(3)SO(3)(-), PF(6)(-), dicyanamide, tricyanomethanide, tetracyanoborate, bis(trifluoromethane sulfonyl)imide (Ntf(2)(-) or TFSI(-)), bis(fluorosulfonyl)imide (FSI(-)) and nitrate anions. Classical molecular dynamics (MD) simulations have been performed on 30 ionic liquids at 298, 333, and 393 K. The IL density, heat of vaporization, ion self-diffusion coefficient, conductivity, and viscosity were found in a good agreement with available experimental data. Ability of the developed force field to predict ionic crystal cell parameters has been tested on four ionic crystals containing Ntf(2)(-) anions. The influence of polarization on the structure and ion transport has been investigated for [emim][BF(4)] IL. A connection between the structural changes in IL resulting from turning off polarization and slowing down of ion dynamics has been found. Developed force field has also provided accurate description/prediction of thermodynamic and transport properties of alkanes, fluoroalkanes, oligoethers (1,2-dimethoxyethane), ethylene carbonate, propylene carbonate, dimethyl carbonate, hydrazine, methyhydrazine, dimethylhydrazine, acetonitrile, dimethyl amine, and dimethyl ketone." @default.
• W2001187016 created "2016-06-24" @default.
• W2001187016 creator A5042561977 @default.
• W2001187016 date "2009-07-28" @default.
• W2001187016 modified "2023-10-16" @default.
• W2001187016 title "Polarizable Force Field Development and Molecular Dynamics Simulations of Ionic Liquids" @default.
• W2001187016 cites W172624527 @default.
• W2001187016 cites W1838460720 @default.
• W2001187016 cites W1882068856 @default.
• W2001187016 cites W1964771695 @default.
• W2001187016 cites W1965200916 @default.
• W2001187016 cites W1970713374 @default.
• W2001187016 cites W1971278457 @default.
• W2001187016 cites W1975074362 @default.
• W2001187016 cites W1976496891 @default.
• W2001187016 cites W1976828803 @default.
• W2001187016 cites W1976839014 @default.
• W2001187016 cites W1978294473 @default.
• W2001187016 cites W1980047161 @default.
• W2001187016 cites W1980839958 @default.
• W2001187016 cites W1982134120 @default.
• W2001187016 cites W1987196689 @default.
• W2001187016 cites W1988863581 @default.
• W2001187016 cites W1992968046 @default.
• W2001187016 cites W1993051689 @default.
• W2001187016 cites W1999277179 @default.
• W2001187016 cites W1999928247 @default.
• W2001187016 cites W2001355150 @default.
• W2001187016 cites W2001495707 @default.
• W2001187016 cites W2001771335 @default.
• W2001187016 cites W2001832096 @default.
• W2001187016 cites W2003075519 @default.
• W2001187016 cites W2003656771 @default.
• W2001187016 cites W2004578758 @default.
• W2001187016 cites W2006529934 @default.
• W2001187016 cites W2007313331 @default.
• W2001187016 cites W2007328989 @default.
• W2001187016 cites W2007976748 @default.
• W2001187016 cites W2008609438 @default.
• W2001187016 cites W2008633553 @default.
• W2001187016 cites W2009202108 @default.
• W2001187016 cites W2009619152 @default.
• W2001187016 cites W2011149424 @default.
• W2001187016 cites W2011974591 @default.
• W2001187016 cites W2013269110 @default.
• W2001187016 cites W2013478319 @default.
• W2001187016 cites W2013700373 @default.
• W2001187016 cites W2014064991 @default.
• W2001187016 cites W2014383196 @default.
• W2001187016 cites W2014464559 @default.
• W2001187016 cites W2016852897 @default.
• W2001187016 cites W2017627963 @default.
• W2001187016 cites W2019014489 @default.
• W2001187016 cites W2019657774 @default.
• W2001187016 cites W2021219814 @default.
• W2001187016 cites W2021551724 @default.
• W2001187016 cites W2022066961 @default.
• W2001187016 cites W2023828347 @default.
• W2001187016 cites W2026607987 @default.
• W2001187016 cites W2026870829 @default.
• W2001187016 cites W2027003996 @default.
• W2001187016 cites W2027141639 @default.
• W2001187016 cites W2030697575 @default.
• W2001187016 cites W2032720602 @default.
• W2001187016 cites W2033279894 @default.
• W2001187016 cites W2033375945 @default.
• W2001187016 cites W2033504710 @default.
• W2001187016 cites W2034945813 @default.
• W2001187016 cites W2035846059 @default.
• W2001187016 cites W2035943359 @default.
• W2001187016 cites W2036989284 @default.
• W2001187016 cites W2037652210 @default.
• W2001187016 cites W2040815285 @default.
• W2001187016 cites W2041291966 @default.
• W2001187016 cites W2042327157 @default.
• W2001187016 cites W2044109716 @default.
• W2001187016 cites W2045022932 @default.
• W2001187016 cites W2045557804 @default.
• W2001187016 cites W2047376058 @default.
• W2001187016 cites W2048274414 @default.
• W2001187016 cites W2048472894 @default.
• W2001187016 cites W2049073864 @default.
• W2001187016 cites W2049879885 @default.
• W2001187016 cites W2050965815 @default.
• W2001187016 cites W2053142346 @default.
• W2001187016 cites W2053344617 @default.
• W2001187016 cites W2055708398 @default.
• W2001187016 cites W2057105206 @default.
• W2001187016 cites W2057831874 @default.
• W2001187016 cites W2057859366 @default.
• W2001187016 cites W2058078276 @default.
• W2001187016 cites W2059194377 @default.
• W2001187016 cites W2060524460 @default.
• W2001187016 cites W2062891560 @default.
• W2001187016 cites W2062932961 @default.
• W2001187016 cites W2063407634 @default.
• W2001187016 cites W2065322107 @default.
• W2001187016 cites W2066802793 @default.

• next