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Wilson A. Cañas-Marín Julián D. Ortiz-Arango Uriel E. Guerrero-Aconcha Claudia P. Soto-Tavera 《Fluid Phase Equilibria》2007
The ability of Soave–Redlich–Kwong cubic equation of state (SRK EoS) to predict densities and thermodynamic derivative properties such as thermal expansivity, isothermal compressibility, calorific capacity, and Joule–Thompson coefficients, for two gas condensates over a wide range of pressures (up to 110 MPa) was studied. The predictions of the EoS were compared to Monte Carlo simulation data obtained by Lagache et al. [M.H. Lagache, P. Ungerer, A. Boutin, Fluid Phase Equilibr. 220 (2004) 221]. Two completely different alpha functions for the SRK EoS attractive term were used and their respective effects on the predictions of such properties were analyzed. Also, two different forms of the crossed terms of the attractive parameter, aij, and three expressions of the crossed terms of the repulsive parameter, bij, were combined in different ways, and predictions were carried out. Little sensitivity of the properties on the chosen alpha function, except for the calorific capacities, was found in the systems studied. The most commonly used combination rules to model phase behavior of reservoir fluids, i.e. geometric and arithmetic forms of aij and bij, respectively, predicted very deficient results for these fluids at extreme conditions, specially for density calculations. 相似文献
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E. de A. Gonçalves V. M. de Oliveira A. Rosas P. R.A. Campos 《The European Physical Journal B - Condensed Matter and Complex Systems》2007,59(1):127-132
Adaptation of populations takes place with the occurrence and subsequent fixation of mutations that confer some selective
advantage
to the individuals which acquire it. For this reason, the study of the process of fixation of advantageous mutations has a
long history
in the population genetics literature. Particularly, the previous investigations aimed to find out the main evolutionary forces
affecting the strength of natural selection in the populations.
In the current work, we investigate the dynamics of fixation of beneficial mutations in a subdivided population. The subpopulations
(demes)
can exchange migrants
among their neighbors, in a migration network which is assumed to have either a random graph or a scale-free topology. We
have observed that the migration rate
drastically affects the dynamics of mutation fixation, despite of the fact that the probability of fixation is invariant on
the
migration rate, accordingly to
Maruyama's conjecture. In addition, we have noticed a topological dependence of the adaptive evolution of the population when
clonal interference
becomes effective. 相似文献
18.
Dimensional analysis is presented as a powerful tool in the study of the paste boriding process. In particular, a dimensional method is used to study the growth kinetics of the boride layers FeB and Fe2B. Experiments were performed in AISI 1045 steel and AISI M2 steel, to test the suggested model. Samples of 1045 steel were prepared and treated using boron paste thickness of 3-5 mm, at temperatures of 1193, 1223 and 1273 K, with 2, 4 and 6 h of treatment time. The M2 specimens had boron paste thickness of 3 and 4 mm and temperatures of 1223, 1253 and 1273 K for 2 and 6 h. Results indicate that the growth of boron layers obeys power laws of the form y = αxβ, where α and β constants are a function of the material and the interface of interest. Validation of the model was carried out using experimental data with an average error percentage of 7.6% for Fe2B in 1045 steel, 15.8% for FeB and 3.4% for Fe2B in M2 steel. 相似文献
19.
Gianluigi Luppi Rodrigo J. Corrêa Angelo C. Pinto Quirinus B. Broxterman Claudia Tomasini 《Tetrahedron》2006,62(51):12017-12024
The first total synthesis of (R)-convolutamydine A has been achieved by the organocatalytic addition of acetone to 4,6-dibromoisatin. The absolute configuration was determined by single crystal X-ray diffraction. DFT studies were used to model the transition states for the aldol reaction and equilibrium geometries of the post-aldol reaction intermediates. The DFT study revealed that the aldol bond forming reaction was considerably endothermic. 相似文献
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