The temperature dependence of thermodynamic quantities, such as heat capacity, entropy and free enthalpy, may be obtained by using well-known equations that relate these quantities to the enthalpy of the molecular system of interest at a range of temperatures. In turn, the enthalpy of a molecular system can be estimated from molecular dynamics simulations of an appropriate model. To demonstrate...

Enthalpy (fuel mass fraction and/or temperature) fluctuations in the oncoming mixture are known to have important impacts on premixed combustion and in particular on combustion instability. Theoretical modeling has primarily been following an empirical approach. In Part I of the present study, an asymptotically reduced first-principle theory was derived from the reactive Navier-Stokes equations...

The standard enthalpy of formation and the enthalpy of sublimation of crystalline 2-hydroxyphenazine-di-N-oxide, at T = 298.15 K, were determined from isoperibol static bomb combustion calorimetry and from Knudsen effusion experiments, as -76.7 +/- 4.2 kJ.mol(-1) and 197 +/- 5 kJ.mol(-1), respectively. The sum of these two quantities gives the standard enthalpy of formation in the gas-phase for...

It has long been conjectured that spray ejected from the high-wind ocean surface enhances air/sea enthalpy fluxes, but a lack of observational data, particularly at wind speeds exceeding 20 m s−1, has prevented either confirmation or refutation of this hypothesis. The current study has two aims: first, to provide an estimate of surface enthalpy fluxes obtained from dropsonde data and second, to...

background: heat stress evaluation and timely notification, especially using meteorological data is an important issue attracted attention in recent years. therefore, this study aimed at answering the following research questions: 1) can enthalpy as a common environmental parameter reported by meteorological agencies be applied accurately for evaluation of thermal condition of outdoor settings,...

We report a combined thermodynamic and structural characterization of a DNA tetraplex. Using spectroscopic and calorimetric techniques, we demonstrate that d(TG3T) and d(TG3T2G3T), in the presence of K+, form stable tetramolecular complexes. From differential scanning calorimetry measurements, we obtain the following thermodynamic profiles for formation of each tetraplex at 25 degrees C: delta ...

We derive exact expressions for the local entanglement entropy epsilon in the ground state of the one-dimensional Hubbard model at a quantum phase transition driven by a change in magnetic field h or chemical potential mu. The leading divergences of delta epsilon/delta h and delta epsilon/delta mu are shown to be directly related to those of the zero-temperature spin and charge susceptibilities...

A study of the influence of the moisture and the grain size on the gelatinization temperature (Tp1) of starch from four industrial maize flours as well as an unprocessed maize sample is presented. The gelatinization is a phase transition that can be observed using Differential Scanning Calorimetry (DSC), and it is manifest as an endothermic peak in the DSC thermogram. Results show that for 60, ...

Butters, margarines and table spreads are water-in-oil emulsions. Melting characteristics of these products are important for flavor release and consumer acceptance. One characteristic that is believed to discriminate butters from margarines is a cooling sensation perceived in-mouth while consuming these products. Here, we investigated different methods to characterize sensorically and analytic...