Search results for "Specific heat"
showing 10 items of 21 documents
Empirical molecular dynamics study of structural, elastic and thermodynamic properties of zinc-blende-like SiGe compound
2004
Abstract A three-body potential coupled with a molecular-dynamics method is used to calculate structural and thermodynamic properties of the hypothetical IV–IV compound SiGe in zinc-blende phase. A good agreement between the calculated and theoretical values of the lattice constant, the bulk modulus and its derivative, and the cohesive energy is obtained. We also compute the elastic constants, Debye temperature, lattice thermal expansion, and the specific heat. We investigate also, the structural properties of SiGe when rock-salt phase appears.
Quantification of low levels of amorphous content in sucrose by hyperDSC.
2005
A method was developed for the quantification of low levels of amorphous content in sucrose with hyperDSC. The method was based on the fact that the change of specific heat at the glass transition is linearly proportional to the amorphous content. It was found out that as annealing time increased, the glass transition temperature moved to a higher temperature and the change of specific heat increased. DeltaC(p) for annealed totally amorphous sucrose was 0.761+/-0.012 Jg(-1) degrees C(-1). Synthetic mixtures with various proportions of crystalline and amorphous sucrose were prepared. The following linear regression between DeltaC(p) and amorphous content was obtained: DeltaC(p)=0.0075x - 0.0…
Specific Heat and Transport Functions of Water
2020
Numerous water characteristics are essentially ascribed to its peculiarity to form stronghydrogen bonds that become progressively more stable on decreasing the temperature. However, thestructural and dynamical implications of the molecular rearrangement are still subject of debate andintense studies. In this work, we observe that the thermodynamic characteristics of liquid water arestrictly connected to its dynamic characteristics. In particular, we compare the thermal behaviourof the isobaric specific heat of water, measured in different confinement conditions at atmosphericpressure (and evaluated by means of theoretical studies) with its configurational contribution obtainedfrom the value…
Thermal characterization of insulating materials
2018
Abstract The strict energy saving standards are based on the declared values of the materials, i.e. U-value, thermal conductivity or thermal capacity. To this end, proper knowledge of the thermophysical properties of the wall components is needed, especially with regard to new lightweight technologies that are being used in building construction/refurbishment, under the dynamic conditions of the Mediterranean climate, where one of most important parameters of building materials is their heat capacity because of the influence of solar radiation energy. With this regard, the actual heat capacity value, obtained in laboratory tests, is typically quite different from the nominal one. So, this p…
1D antiferromagnetism in spin‐alternating bimetallic chains
1990
The magnetic and thermal properties of the ordered bimetallic chain CoNi(EDTA)⋅6H2O in the very low‐temperature range are reported. The magnetic behavior does not exhibit the characteristic features of 1D ferrimagnets, but a continuous decrease of χmT towards zero at absolute zero. This 1D antiferromagnetic behavior results from an accidental compensation between the moments located at the two sublattices. This behavior, as well as the specific‐heat results, are modeled on the basis of an Ising‐exchange model that considers both alternating spins and Landé factors, and a zero‐field splitting on the Ni site. Eugenio.Coronado@uv.es ; Fernando.Sapina@uv.es
Quantification of low levels of amorphous content in maltitol
2004
A method for the quantification of low levels of amorphous content of maltitol with hyper-DSC (high speed DSC) was developed. The method is based on the fact that the change of specific heat ( � Cp) at the glass transition is linearly proportional to the amorphous content. Twelve synthetic mixtures with various degrees of crystalline and amorphous maltitol were prepared. � Cp was determined at both fictive and
A molecular chemical approach to the magnetic multilayers
1999
Abstract Using the bi-dimensional bimetallic networks based upon oxalate complexes, it is possible to prepare new multilayered materials by insertion of ‘electroactive’ molecules in between these layers. According to this approach a new family of compounds presenting alternating ferromagnetic—paramagnetic layers have been successfully prepared. Here we present the magnetic and specific heat characterization.
Confinement-induced polymorphism in acetylsalicylic acid–nanoporous glass composites
2018
We report on the experimental observation of confinement-induced new phase appearance in acetylsalicylic acid (ASA)–porous glass (PG) composites. In this study, ASA was embedded in PG host matrices of various pore widths (15–200 nm). The Raman spectra and positron annihilation lifetime measurements exhibit the existence of ASA nanocrystals in the PG matrix. The DSC data revealed that the melting temperature TM and excess specific heat decrease with decreasing the size of embedded ASA nanocrystals. The close inspection of the TM dependence versus diameter of filled pores has shown that the ASA crystallizes in polymorph II in confined matrix. Moreover, it was demonstrated that the ASA spatial…
Kinetic Parameters for Thermal Degradation of Green Asparagus Texture by Unsteady-state Method
1998
An unsteady-state method was developed for estimating texture degradation during heating-cooling of green asparagus spears. The method used a mathematical model of heat transmission for time-temperature history estimation, and a nonlinear regression of texture measurements of asparagus spears to estimate kinetic parameters. The specific heat, conductivity and convective coefficient of green asparagus were determined experimentally and used In the mathematical model for temperature estimation. Values obtained were Ea = 76.19±0.13 kJ/mol and k 1158°C = 0.00528±0.00005 s -1 . Good agreement was found between predicted and observed texture values. The method was compared with the classical stea…
ChemInform Abstract: Specific Heat of Amorphous Silica within the Harmonic Approximation.
2010
We investigate to what extent the specific heat of amorphous silica can be calculated within the harmonic approximation. For this we use molecular dynamics computer simulations to calculate, for a simple silica model (the BKS potential), the velocity autocorrelation function and hence an effective density of states g(ν). We find that the harmonic approximation is valid for temperatures below 300 K but starts to break down at higher temperatures. We show that, to obtain a reliable description of the low-frequency part of g(ν), i.e., where the boson peak is observed, it is essential to use large systems for the simulations and small cooling rates to quench the samples. We find that the calcul…