We calculate the standard state entropy, heat capacity, enthalpy, and Gibbs free energy for 13 radicals important for the combustion chemistry of biofuels. These thermochemical quantities are calculated from recently proposed methods for calculating partition functions of complex molecules by taking into account their multiple conformational structures and torsional anharmonicity. The radicals ...

A systematic study of the effect of composition on the thermo-physical properties of the binary mixtures of 1-methyl-3-pentyl imidazolium hexafluorophosphate [MPI][PF(6)] with poly(ethylene glycol) (PEG) [M(w) = 400] is presented. The excess molar volume, refractive index deviation, viscosity deviation, and surface tension deviation values were calculated from these experimental density, ρ, ref...

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, ...

The enthalpy and volume changes, deltaH and deltaV, associated with the 266 nm laser-induced photoionization reactions of aqueous ferrocyanide and iodide ions, to yield the hydrated electron, e(-)aq, and oxidized products were determined by temperature-dependent time-resolved photoacoustics. The photoionization quantum yield as function of temperature (9-30 degrees C) was determined by laser fl...

The translational diffusion coefficient and the partition coefficient of a spin-labeled solute, di-t-butyl nitroxide, in an aqueous suspension of dipalmitoyl lecithin vesicles have been studied by electron spin resonance spectroscopy. When the lecithin is cooled through its phase transition temperature near 41 degrees C, some solute is "frozen out" of the bilayer, and the standard partial molar...

The sensitivities of metallophthalocyanine (MPcs: M = Co, Ni, Cu, Zn, and H(2)) chemiresistors to vapor phase electron donors were examined using 50 nm MPc films deposited on interdigitated electrodes. Sensor responses were measured as changes in current at constant voltage. Analytes were chosen to span a broad range of Lewis base and hydrogen bond base strengths. The MPc sensor responses were ...

The exceptionally high temperature sensitivity of certain transient receptor potential (TRP) family ion channels is the molecular basis of hot and cold sensation in sensory neurons. The laws of thermodynamics dictate that opening of these specialized TRP channels must involve an unusually large conformational standard-state enthalpy, ΔH(o): positive ΔH(o) for heat-activated and negative ΔH(o) f...

Thermal measurements in energy engineering are a rather complex matter. Many physical quantities cannot be measured directly. They must be calculated making use of algorithms basing on the results of direct measurements. Any measurement is always an inaccurate operation. A measure of the inaccuracy of measurements is the uncertainty of this measurement defined as a parameter characterizing the ...

Ion association of the ionic liquid [bmim][Cl] in acetonitrile and in water was studied by dielectric spectroscopy for salt concentrations c r 1.3 M at 298.15 K and by measurement of molar electrical conductivities, L, of dilute solutions (c r 0.006 M) in the temperature range 273.15 t T/K r 313.15. Whilst acetonitrile solutions of [bmim][Cl] exhibit moderate ion pairing, with an association co...

Formamidopyrimidine-DNA glycosylase, Fpg protein from Escherichia coli, initiates base excision repair in DNA by removing a wide variety of oxidized lesions. In this study, we perform thermodynamic analysis of the multi-stage interaction of Fpg with specific DNA-substrates containing 7,8-dihydro-8-oxoguanosine (oxoG), or tetrahydrofuran (THF, an uncleavable abasic site analog) and non-specific ...