Accurate Correlations (accurate + correlation)

Distribution by Scientific Domains
Chemistry75%

Selected Abstracts

Accurate correlations to estimate refinery fuel gas, natural gas, and fuel oil CO2 emission factors and its uncertainty

AICHE JOURNAL, Issue 9 2010
Esteban F. Márquez-Riquelme
Abstract The quantification of Greenhouse Gas (GHG) inventories and its associated uncertainty is a relevant activity often requested by authorities. Accurate methods to calculate both inventories and the involved uncertainty are convenient for close monitoring purposes. Using Monte Carlo simulations, correlations of high accuracy between emission factors (EFs), lower heating value (LHV), and density were built for refinery fuel gas, natural gas and fuel/residual oil. In all cases, the data generated by the simulations also served the purpose of building correlations for upper and lower bounds of the EF that can be readily used to estimate the EF estimation uncertainty. The correlations were tested against actual refinery data and the results show that more accurate estimations were obtained compared with EF obtained from laboratory composition methods and from methods that estimate EF as proportional to LHV only. In the case of fuel and residual oils, the correlations developed are a function of LHV only but were improved by using a cubic polynomial. The calculation of upper and lower bounds for EF offer a convenient method to estimate EF uncertainties that are required in official GHG emissions inventory calculations. In conclusion, in addition to LHV, the use of one additional readily available fuel property, namely fuel density is sufficient to reduce uncertainty of estimation of GHG (in this case CO2) from combustion to acceptable levels. © 2010 American Institute of Chemical Engineers AIChE J, 2010 [source]

A novel equation of state (EOS) for prediction of solute solubility in supercritical carbon dioxide: Experimental determination and correlation

THE CANADIAN JOURNAL OF CHEMICAL ENGINEERING, Issue 6 2009
Sh. Jafari Nejad
Abstract Solubility data of organophosphorous metal extractants in supercritical fluids (SCF) are crucial for designing metal extraction processes. We have developed a new equation of state (EOS) based on virial equation including an untypical parameter as BP/RT, reduced temperature and pressure for prediction of solute solubility in supercritical carbon dioxide (SC CO2). Solubility experimental data (solubility of tributylphosphate in SC CO2) were correlated with the two cubic equations of state (EOS) models, namely the Peng,Robinson EOS (PR-EOS) and the Soave,Redlich,Kwong EOS (SRK-EOS), together with two adjustable parameter van der Waals mixing and combining rules and our proposed EOS. The AARD of our EOS is significantly lower than that obtained from the other EOS models. The proposed EOS presented more accurate correlation for solubility data in SC CO2. It can be employed to speed up the process of SCF applications in industry. Les données de solubilité d'extractants de métaux organo-phosphorés dans des fluides supercritiques (FSC) sont cruciales pour concevoir des processus d'extraction des métaux. Nous avons développé une nouvelle équation d'état (ÉÉ) basée sur une équation d'état du viriel comprenant un paramètre atypique tel que la température et la pression réduite pour la prédiction de la solubilité du soluté dans du dioxyde de carbone supercritique. Les données expérimentales de solubilité (solubilité du phosphate de tributyle dans CO2 SC) ont été corrélées avec les deux modèles d'équations d'état cubiques, soit l'ÉÉ Peng,Robinson (ÉÉ-PR) et l'ÉÉ Soave,Redlich,Kwong (ÉÉ-SRK), avec deux paramètres ajustables, les règles de mélange et de combinaison van der Waals et notre ÉÉ proposée. L'AARD de notre ÉÉ est significativement plus faible que celui obtenu à partir des autres modèles d'ÉÉ. L'ÉÉ proposée présentait une corrélation plus exacte pour les données de solubilité dans le CO2 SC. Elle peut être employée pour accélérer les processus des applications de FSC dans l'industrie. [source]

Modeling the solid,liquid equilibrium in pharmaceutical-solvent mixtures: Systems with complex hydrogen bonding behavior

AICHE JOURNAL, Issue 3 2009
Ioannis Tsivintzelis
Abstract A methodology is suggested for modeling the phase equilibria of complex chemical mixtures with an equation of state (EoS) for the case where only limited experimental data exist. The complex hydrogen bonding behavior is explicitly accounted for and the corresponding parameters are adopted from simpler molecules of similar chemical structure and/or are fitted to Hansen's partial solubility parameters. The methodology is applied to modeling the solubility of three pharmaceuticals, namely acetanilide, phenacetin, and paracetamol, using the nonrandom hydrogen bonding (NRHB) EoS. In all cases, accurate correlations were obtained. The prediction ability of the approach was evaluated against predictions from the COSMO-RS model. A thorough discussion is made for the appropriate modeling of solid solubility considering the effect of the difference of the heat capacities of the solute in liquid and solid state, ,Cp = Cpl , Cps, in the determination of solid chemical potential and, also, of the polymorphism of drugs. © 2009 American Institute of Chemical Engineers AIChE J, 2009 [source]

Deep H, imagery of the Eridanus shells

MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY, Issue 1 2001
P. Boumis
A deep H, image of interlocking filamentary arcs of nebulosity has been obtained with a wide-field (,30° diameter) narrow-band filter camera combined with a charge-coupled device as a detector. The resultant mosaic of images, extending to a galactic latitude of ,65°, has been corrected for field distortions and had galactic coordinates superimposed on it to permit accurate correlations with the most recent H i (21 cm), X-ray (0.75 keV) and FIR (IRAS 100 ,m) maps. Furthermore, an upper limit of 0.13 arcsec yr,1 to the expansion proper motion of the primary 25° long nebulous arc has been obtained by comparing a recent H, image obtained with the San Pedro Martir telescope of its filamentary edge with that on a Palomar Observatory Sky Survey E plate obtained in 1951. It is concluded that these filamentary arcs are the superimposed images of separate shells (driven by supernova explosions and/or stellar winds) rather than the edges of a single ,superbubble' stretching from Barnard's Arc (and the Orion Nebula) to these high galactic latitudes. The proper motion measurement argues against the primary H,-emitting arc being associated with the giant radio loop (Loop 2) except in extraordinary circumstances. [source]