The application of thermodynamics is simple, even if the theory may appear intimidating. We describe tools, developed over recent years, which make it easy to estimate often elusive thermodynamic parameter values, generally (but not exclusively) for ionic materials, both solid and liquid, as well as for their solid hydrates and solvates. The tools are termed volume-based thermodynamics (VBT) an...

An evident inequality between the enthalpy of crystallization of amorphous selenium, DHx , and the enthalpy difference between the undercooled liquid and the conventional polycrystalline selenium, DHl→c, was observed, which is inconsistent with the widely accepted idea that the two enthalpies should be equal. The inequality between the two enthalpies is attributed to the excess enthalpy of the ...

Wepresent a revised formof the energy balance for the coupled thermodynamics of liquid water flowing in porousmedia and give examples of situations where a commonly used formulation based on transport of enthalpy leads to erroneous results. Assuming negligible contribution from kinetic energy as well as sources and sinks such as energy from radioactive decay, total energy conservation is reduce...

The specific binding of [3H]phorbol 12,13-dibutyrate ([3H]-PDBU) to particulate preparations from mouse brain has been further characterized. Kinetic analysis, using a filtration assay to measure binding, yielded a second-order rate constant at 23 degrees of 3.75 X 10(7) M-1 min-1 and a first-order dissociation rate constant of 0.21 min-1. The Kd of 5.6 nM calculated from the kinetic data agree...

Holo and apo adrenodoxin were studied by differential scanning calorimetry, absorption spectroscopy, limited proteolysis, and size-exclusion chromatography. To determine the conformational stability of adrenodoxin, a method was found that prevents the irreversible destruction of the iron-sulfur center. The approach makes use of a buffer solution that contains sodium sulfide and mercaptoethanol....

The specific heat capacity (Cp) of amorphous sucrose was determined by DSC after annealing at a particular temperature within the glass transition (Tg) region. The enthalpy recovery after physical aging was obtained from the Cp data through the Tg region after several aging times. This data was fitted to the empirical Williams-Watts equation to obtain values for the mean molecular relaxation ti...

The standard molar enthalpy of combustion (Δc H (o) m) and formation (Δf H (o) m) of quaternary ammonium tetrachlorozincate [n-CnH2n+1N(CH3)3]2ZnCl4 have been determined for the hydrocarbon chain length from even number 8 to 18 of carbon atoms (n) by an oxygen-bomb combustion calorimeter. The results indicated that the values of Δc H (o) m increased and Δf H (o) m decreased with increasing chai...

BACKGROUND One of the main topics in the development of quantitative structure-property relationship (QSPR) predictive models is the identification of the subset of variables that represent the structure of a molecule and which are predictors for a given property. There are several automated feature selection methods, ranging from backward, forward or stepwise procedures, to further elaborated ...