000 03580nam a22006015i 4500
001 978-981-10-3545-6
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005 20220801222701.0
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008 170217s2017 si | s |||| 0|eng d
020 _a9789811035456
_9978-981-10-3545-6
024 7 _a10.1007/978-981-10-3545-6
_2doi
050 4 _aTJ265
050 4 _aTP156.M3
072 7 _aTGMB
_2bicssc
072 7 _aSCI065000
_2bisacsh
072 7 _aTGMB
_2thema
082 0 4 _a621.4021
_223
100 1 _aRaabe, Gabriele.
_eauthor.
_4aut
_4http://id.loc.gov/vocabulary/relators/aut
_962785
245 1 0 _aMolecular Simulation Studies on Thermophysical Properties
_h[electronic resource] :
_bWith Application to Working Fluids /
_cby Gabriele Raabe.
250 _a1st ed. 2017.
264 1 _aSingapore :
_bSpringer Nature Singapore :
_bImprint: Springer,
_c2017.
300 _aXXV, 306 p. 89 illus.
_bonline resource.
336 _atext
_btxt
_2rdacontent
337 _acomputer
_bc
_2rdamedia
338 _aonline resource
_bcr
_2rdacarrier
347 _atext file
_bPDF
_2rda
490 1 _aMolecular Modeling and Simulation, Applications and Perspectives,
_x2364-5091
505 0 _aIntroduction -- Introduction to Statistical Mechanics -- Monte Carlo Simulations -- Molecular Dynamics Simulations -- Running Molecular Simulations -- Molecular Models (Force Fields) -- Thermophysical and Structural Properties from Molecular Simulation -- Applications of Molecular Simulations to Studies on Working Fluids -- Conclusion and Outlook -- A Force Field Parameters.
520 _aThis book discusses the fundamentals of molecular simulation, starting with the basics of statistical mechanics and providing introductions to Monte Carlo and molecular dynamics simulation techniques. It also offers an overview of force-field models for molecular simulations and their parameterization, with a discussion of specific aspects. The book then summarizes the available know-how for analyzing molecular simulation outputs to derive information on thermophysical and structural properties. Both the force-field modeling and the analysis of simulation outputs are illustrated by various examples. Simulation studies on recently introduced HFO compounds as working fluids for different technical applications demonstrate the value of molecular simulations in providing predictions for poorly understood compounds and gaining a molecular-level understanding of their properties. This book will prove a valuable resource to researchers and students alike.
650 0 _aThermodynamics.
_93554
650 0 _aHeat engineering.
_95144
650 0 _aHeat transfer.
_932329
650 0 _aMass transfer.
_94272
650 0 _aFluid mechanics.
_92810
650 0 _aAtomic structure  .
_952210
650 0 _aMolecular structure .
_952211
650 1 4 _aEngineering Thermodynamics, Heat and Mass Transfer.
_932330
650 2 4 _aEngineering Fluid Dynamics.
_962786
650 2 4 _aAtomic and Molecular Structure and Properties.
_952214
710 2 _aSpringerLink (Online service)
_962787
773 0 _tSpringer Nature eBook
776 0 8 _iPrinted edition:
_z9789811035449
776 0 8 _iPrinted edition:
_z9789811035463
776 0 8 _iPrinted edition:
_z9789811099014
830 0 _aMolecular Modeling and Simulation, Applications and Perspectives,
_x2364-5091
_962788
856 4 0 _uhttps://doi.org/10.1007/978-981-10-3545-6
912 _aZDB-2-ENG
912 _aZDB-2-SXE
942 _cEBK
999 _c81042
_d81042