Propriedades espectroscópicas Ab initio dos dímeros de van der waals Ne2 e Ar2

Results of high level ab initio calculations of the intermolecular potentials and theoretical dispersion coefficients for the Ne2 and Ar2 dimers were utilized to build analytical potentials for these species. The obtained potentials were used in the calculation of the dimers rovibrationals levels, and their respective spectroscopic constants determined. A comparison of high level experimental data with our theoretical results shows a very good agreement for Ne2, and also a good agreement for the Ar2 dimer.

Diagramas de Ellingham e de Van't Hoff: algumas considerações

The main subject of this article is to show the parallelism betwen the Ellingham and Van't Hoff diagrams. The first one is a graphic representation of the changes in the standard Gibbs free energy (deltarGtheta) as a function of T and was introduced by Ellingham in 1944, in order to study metallurgic processes involving oxides and sulphides. On the other hand, the Van't Hoff diagram is a representation of the function ln K versus (1/T). The equivalence between both diagrams is easily demonstrated, making simple mathematical manipulations. In order to show the parallelism between both diagrams, they are presented briefly and two examples are discussed. The comparison of the both diagrams surely will be helpful to students and teachers in their learning and teaching activities, and will certainly enrich important aspects of chemical thermodynamics.

Els mamuts es van extingir per falta de diversitat genètica

Els mamuts han sigut els mamífers més grans que hi ha hagut a terra ferma, i han esdevingut una icona de la prehistòria. També són un paradigma de les extincions. Últimament, la possibilitat d'analitzar el genoma d'espècies extingides ha obert una nova porta per estudiar els mecanismes que porten a l'extinció. Un equip de recerca, internacional i multidisciplinari, ha analitzat i comparat el genoma de diversos mamut llanuts ( Mammuthus primigenius ). Segons l'estudi, publicat a Current Biology, la pèrdua de diversitat genètica va ser clau per a la seva extinció.

Entalpía de disolución de sulfacetamida sódica en agua: comparación entre la calorimetría isoperibólica de solución y el método de van't Hoff

The dissolution enthalpy (ΔH0soln) of sodium sulfacetamide in water was determined by means of isoperibolic solution calorimetry. It was found that ΔH0soln diminishes as the drug concentration increases. Otherwise, the calorimetric values obtained as a function of the drug concentration were significantly different than those predicted by the van't Hoff method. It was demonstrated that the later is not a fully reliable method for the determination of ΔH0soln values in the specific case of highly soluble sodium salts. The observed phenomenon could be explained by the presence of strong solute-solute interactions at high salt concentrations, in addition to solute-solvent and solvent-solvent interactions.

Cálculo do volume na equação de van der Waals pelo método de cardano

Analytical solutions of a cubic equation with real coefficients are established using the Cardano method. The method is first applied to simple third order equation. Calculation of volume in the van der Waals equation of state is afterwards established. These results are exemplified to calculate the volumes below and above critical temperatures. Analytical and numerical values for the compressibility factor are presented as a function of the pressure. As a final example, coexistence volumes in the liquid-vapor equilibrium are calculated. The Cardano approach is very simple to apply, requiring only elementary operations, indicating an attractive method to be used in teaching elementary thermodynamics.

SAPT: ligação de hidrogênio ou interação de van der Waals?

It is through the application of an electronic partition approach called Symmetry-Adapted Perturbation Theory (SAPT) that the nature of hydrogen bonds and van der Waals interactions can be unveiled according to the contribution of electrostatic, charge transfer, exchange repulsion, polarization, and dispersion terms. Among these, electrostatic partition governs the formation of the hydrogen bonds, whose energies are arguably high. However, the weakness of the interaction strength is caused by dispersion forces, whose contribution decisively lead to the stabilization of complexes formed via van der Waals interactions.

Models, truth and realism: assessing Bas van Fraassen's views on scientific representation

This paper is devoted to an analysis of some aspects of Bas van Fraassen's views on representation. While I agree with most of his claims, I disagree on the following three issues. Firstly, I contend that some isomorphism (or at least homomorphism) between the representor and what is represented is a universal necessary condition for the success of any representation, even in the case of misrepresentation. Secondly, I argue that the so-called "semantic" or "model-theoretic" construal of theories does not give proper due to the role played by true propositions in successful representing practices. Thirdly, I attempt to show that the force of van Fraassen's pragmatic - and antirealist - "dissolution" of the "loss of reality objection" loses its bite when we realize that our cognitive contact with real phenomena is achieved not by representing but by expressing true propositions about them.

Reizen door Zweeden en Finland, tot aan de uiterste grenzen van Lapland, in de jaaren 1798 en 1799 : door Joseph Acerbi. Uit het engelsch. ... Eerste deel[-vierde en laatste deel].

Digital reproduction, The National Library of Finland, Centre for Preservation and Digitisation, Mikkeli

Reizen door Zweeden en Finland, tot aan de uiterste grenzen van Lapland, in de jaaren 1798 en 1799 : door Joseph Acerbi. Uit het engelsch. ... Eerste deel[-vierde en laatste deel].

Digital reproduction, The National Library of Finland, Centre for Preservation and Digitisation, Mikkeli