Computational Thermodynamics Library: TDLIB’00
نویسنده
چکیده
3.2. Describing phases. I. Simple objects in the PHASE library (tdlib/ex/phase) ...................................23 3.2.1. Object coef............................................................................................................................24 3.2.2. Objects elem and formula .....................................................................................................25 3.2.3. Object PointPhase (tdlib/ex/phase/pp) ...................................................................................25 3.2.4. Objects in category func_Tp (tdlib/ex/phase/pp)....................................................................26 3.2.5. Object species (tdlib/ex/phase/pp/) ........................................................................................28 3.2.6. Object SimpleSolution (tdlib/ex/phase/simple/).....................................................................30 3.2.7. Objects in category FuncTpx (tdlib/ex/phase/simple) ............................................................30 3.2.8. Object CuOx_ordered_plane (tdlib/ex/phase/y247/) ..............................................................34 3.2.9. Object NumericalDerivatives (tdlib/ex/phase/y247/)..............................................................34
منابع مشابه
ar X iv : h ep - t h / 06 11 16 5 v 1 1 5 N ov 2 00 6 Generalized Second Law of Thermodynamics in Quintom Dominated Universe
In this paper we will investigate the validity of the Generalized Second Law of thermodynamics for the Quintom model of dark energy. Reviewing briefly the quintom scenario of dark energy, we will study the conditions of validity of the generalized second law of thermodynamics in three cases: quintessence dominated, phantom dominated and transition from quintessence to phantom will be discussed.
متن کاملThermodynamics of CO2 reaction with methylamine in aqueous solution: A computational study
Separation and capture of carbon dioxide from the flue gas of power plants in order to reduceenvironmental damages has always been of interest to researchers. In this study, aqueous solution ofmethylamine was used as an absorbent for CO2 capture. In order to study this reaction, DensityFunctional Theory (DFT) was employed at the level of B3LYP/6-311++G(d,p) by using theconductor-like polarizabl...
متن کاملar X iv : g r - qc / 0 60 90 76 v 2 1 5 N ov 2 00 6 Thermodynamics second law and ω = − 1 crossing ( s ) in interacting holographic dark energy model
Thermodynamics second law and ω = −1 crossing(s) in interacting holographic dark energy model Abstract By the assumption that the thermodynamics second law is valid, we study the possibility of ω = −1 crossing in an interacting holographic dark energy model. Depending on the choice of the horizon and the interaction, the transition from quintessence to phantom regime and subsequently from phant...
متن کامل- qc / 0 60 90 76 v 3 7 F eb 2 00 7 Thermodynamics second law and ω = − 1 crossing ( s ) in interacting holographic dark energy model
Thermodynamics second law and ω = −1 crossing(s) in interacting holographic dark energy model Abstract By the assumption that the thermodynamics second law is valid, we study the possibility of ω = −1 crossing in an interacting holographic dark energy model. Depending on the choice of the horizon and the interaction, the transition from quintessence to phantom regime and subsequently from phant...
متن کاملThermodynamics and Kinetics of Spiro-Heterocycle Formation Mechanism: Computational Study
Reaction mechanism among indoline-2,3-dione, pyrrolidine-2-carboxylic acid and (Z)-2-(1-(2-hydroxynaphthalen-1-yl)ethylidene)hydroxycarboxamide to form 1’-((((aminooxy)carbonyl)amino)methyl)-2’-(1-hydroxynaphthalen-2-yl)-2’-methyl-1’,2’,5’,6’,7’,7a’-hexahydrospiro[indoline-3,3’-pyrrolo[1,2-a]imidazole-2-one was investigated using density functional theory (DFT) at B3LYP basis theory. The three-...
متن کامل