About: Accurate equation of state of the hard sphere fluid in stable and metastable regions

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	New accurate data on the compressibility factor of the hard sphere fluid are obtained by highly optimized molecular dynamics calculations in the range of reduced densities 0.20--1.03. The relative inaccuracy at the 95% confidence level is better than 0.00004 for all densities but the last deeply metastable point. This accuracy requires careful examination of finite size effects and other possible sources of errors and applying corrections. The data are fitted to a power series in y/(1 -y), where y is the packing fraction; the coefficients are determined so that virial coefficients B2 to B6 are reproduced. To do this, values of B5 and B6 are accurately recalculated. Virial coefficients up to B11 are then estimated from the equation of state. New accurate data on the compressibility factor of the hard sphere fluid are obtained by highly optimized molecular dynamics calculations in the range of reduced densities 0.20--1.03. The relative inaccuracy at the 95% confidence level is better than 0.00004 for all densities but the last deeply metastable point. This accuracy requires careful examination of finite size effects and other possible sources of errors and applying corrections. The data are fitted to a power series in y/(1 -y), where y is the packing fraction; the coefficients are determined so that virial coefficients B2 to B6 are reproduced. To do this, values of B5 and B6 are accurately recalculated. Virial coefficients up to B11 are then estimated from the equation of state. (en) Získali jsme nová přesná data pro kompresibilitní faktor tekutiny tuhých koulí pomocí vysoce optimalizované molekulové dynamiky v rozsahu redukovaných hustot 0.20--1.03. Relativní nepřesnost na hladině významnosti 95% je lepší než 0.00004 pro všechny hustoty s výjimkou posledního hluboce metastabilního bodu. Tato přesnost vyžaduje pečlivé vyšetření závislosti na velikosti systému a dalších zdrojů chyb a aplikaci korekcí. Data jsou nafitována na mocninnou řadu v y/(1-y), kde y je zlomek stěsnání; koeficienty jsou určeny tak, aby byly reprodukovány viriální koeficienty B2 až B6. Viriální koeficienty do B11 jsou pak odhadnuty ze stavové rovnice. (cs)
Title	Accurate equation of state of the hard sphere fluid in stable and metastable regions Accurate equation of state of the hard sphere fluid in stable and metastable regions (en) Přesná stavová rovnice tekutiny tuhých koulí v stabilní i metastabilní oblasti (cs)
skos:prefLabel	Accurate equation of state of the hard sphere fluid in stable and metastable regions Accurate equation of state of the hard sphere fluid in stable and metastable regions (en) Přesná stavová rovnice tekutiny tuhých koulí v stabilní i metastabilní oblasti (cs)
skos:notation	RIV/60461373:22340/04:00011110!RIV/2005/MSM/223405/N
http://linked.open.../vavai/riv/strany	2335-2340
http://linked.open...avai/riv/aktivita	P
http://linked.open...avai/riv/aktivity	P(LN00A032)
http://linked.open...iv/cisloPeriodika	9
http://linked.open...vai/riv/dodaniDat	2005
http://linked.open...aciTvurceVysledku	Kolafa, Jiří Labík, Stanislav Malijevský, Anatol
http://linked.open.../riv/druhVysledku	J - Článek v odborném periodiku
http://linked.open...iv/duvernostUdaju	S - Úplné a pravdivé údaje nepodléhající ochraně podle zvláštních právních předpisů
http://linked.open...titaPredkladatele	Vysoká škola chemicko-technologická v Praze / Fakulta chemicko-inženýrská
http://linked.open...dnocenehoVysledku	553385
http://linked.open...ai/riv/idVysledku	RIV/60461373:22340/04:00011110
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	equation of state;hard sphere fluid;metastable fluid;molecular dynamics; (en)
http://linked.open.../riv/klicoveSlovo	metastable fluid equation of state molecular dynamics hard sphere fluid
http://linked.open...odStatuVydavatele	GB - Spojené království Velké Británie a Severního Irska
http://linked.open...ontrolniKodProRIV	[833D687E0F7F]
http://linked.open...i/riv/nazevZdroje	Physical Chemistry Chemical Physics
http://linked.open...in/vavai/riv/obor	CF
http://linked.open...ichTvurcuVysledku	3 (xsd:int)
http://linked.open...cetTvurcuVysledku	3 (xsd:int)
http://linked.open...vavai/riv/projekt	Structure and dynamics of complex molecular systems and biomolecules
http://linked.open...UplatneniVysledku	2004
http://linked.open...v/svazekPeriodika	6
http://linked.open...iv/tvurceVysledku	Kolafa, Jiří Labík, Stanislav Malijevský, Anatol
issn	1463-9076
number of pages	6 (xsd:int)
http://localhost/t...ganizacniJednotka	22340

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