Search results for "THERMODYNAMICS"
showing 10 items of 2774 documents
Surface pattern recording in Sb2Se3 thin films
2013
Abstract Results on the modification of Sb 2 Se 3 thin film surface topology by irradiation followed by wet-etching are given. Comparison of study results revealed the possible role of purely electronic and thermal processes in the relief formation. The latter is supposed to be connected with radiation-induced defect creation, free volume increase under the increased fluidity conditions as well as with the possible additional influence of electrostatic forces and stress. Changes in surface characteristics are presented and potential applications of this treatment are discussed.
The role of atomic static displacements in binary-alloy formation
2003
Abstract A microscopic approach to considering the influence of local atomic static displacements (LASD) on binary alloy thermodynamic properties has been developed. The explicit expression for the free energy of a disordered alloy is derived within the collective variables method. The LASD are shown to promote formation of a disordered alloy. The theory is illustrated by numerical calculations performed for alloys of the Ca–Ba system. Dependence of the alloy formation heat on temperature and concentration obtained numerically agrees perfectly with the experimental data.
Fractal dimension of zeolite catalysts
2002
Atom—atom analyses of the geometric descriptors, topological indices and fractal dimension D are applied to active-site models of Br⊘nsted acid zeolites. The results are compared with those from the literature for rings and cavities. A method is tested similar to that used in previous works for crystal fragments. The results obtained are encouraging and the good quality of the analysis is clear from a comparison with cavity results. The active sites are modelled by sets of Al—OH—Si units. These bridges form 2–12 membered rings. Indices for the models are calculated. An analysis shows that the maximal Dsi contribution corresponds to the 6-ring, matching the maximal Dcavity. It is suggested t…
Impact of anionic system modification on the desired properties for CuGa(S1−Se )2 solid solutions
2021
Abstract One of promising directions of the modern solar cells’ development is related to the use of the ternary chalcopyrite crystals (CuInS2, CuGaS2 etc.) and their solid solutions as efficient light absorbing layers. Unfortunately, so far there is no systematic research linking chemical composition to useful properties allowing their optimization to increase the efficiency of solar cells. Therefore, we report the results of the detailed theoretical studies of the structural, electronic, and optical properties for the series of CuGa(S1−xSex)2 solid solutions (x = 0, 0.25, 0.5, 0.75, 1) in the framework of the density functional theory. For this purpose, crystal structures are analyzed wit…
Physical activation and characterization of tannin-based foams enforced with boric acid and zinc chloride
2019
In this study, tannin-furanic-based foams enforced with H3BO3 and ZnCl2 are investigated, as well as their properties such as mechanical strength, specific surface area, and pore size distribution. From an industrial point of view, the aforementioned properties of these foams play a key role when used as catalyst, adsorbent, or gas storing materials. Therefore, this study aims to prove that such enforced tannin-furanic foams are promising materials for these types of applications. According to the results, materials that are up to five times stronger can be achieved by carbonizing the foams in comparison to maturing them. With physical activation, it was possible to obtain a specific surfac…
Copolymer−Cyclodextrin Inclusion Complexes in Water and in the Solid State. A Physico-Chemical Study
2008
The formation of inclusion complexes (ICs) composed of cyclodextrins (CDs) and poly(ethylene oxides)-poly(propylene oxides)-poly(ethylene oxides) (PEO-PPO-PEO) was studied. To this purpose, native and hydroxypropyl cyclodextrins with different cavity size were chosen. The PEO-PPO-PEO copolymers were selected to study the role of the molecular weight, keeping constant the hydrophilic/hydrophobic ratio, and the hydrophilicity. The volumetric studies at 25 degrees C allowed to determine the equilibrium constant and the volume change for the IC formation in water as well as the IC stoichiometry. Surface tension experiments evidenced that the copolymer and the CD interfacial behavior is controll…
Effect of Organic Tin Compounds on Electric Properties of Model Membranes
2006
The objective of the present work was to investigate the effect of selected organic tin compounds and potassium chloride (used as a reference substance) on the trans-membrane electric voltage and electric resistance of model membranes, the latter being nitrocellulose filters impregnated with butylene ester of lauric acid. The increasing KCl concentration (in the measurement chambers) caused a rapid rise of the negative trans-membrane voltage, whose value stabilized afterwards. In the case of (C3H7)3SnCl an abrupt maximum of the negative voltage was observed followed by a monotonic drop to zero. In the case of highest concentrations of this compound the voltages, after having reached zero, c…
A Grand Canonical Monte Carlo Study of the N2, CO, and Mixed N2–CO Clathrate Hydrates
2018
In this paper we report the use of Grand Canonical Monte Carlo (GCMC) simulations to characterize the competitive trapping of CO and N2 molecules into clathrates, for various gas compositions in the temperature range from 50 to 150 K. The simulations evidence a preferential trapping of CO with respect to N2. This leads to the formation of clathrates that are preferentially filled with CO at equilibrium, irrespective of the composition of the gas phase, the fugacity, and the temperature. Moreover, the results of the simulations show that the small cages of the clathrate structure are always filled first, independent of either the guest structure or the temperature. This issue has been associ…
Formation of Laves phases in buoyancy matched hard sphere suspensions.
2018
Colloidal Laves phases (LPs) are promising precursors for photonic materials. Laves phases have not yet been observed to form in experiments on colloidal suspensions of hard spheres (HS), even though they have been reported in computer simulations. LP formation so far has been achieved only for binary mixtures of colloidal charged spheres or ligand-stabilized nano-particles after drying. Using static light scattering, we monitored LP formation and annealing in a binary mixture of buoyant hard sphere approximants (size ratio Γ = 0.77, number or molar fraction of small spheres xS = 0.76) for volume fractions in the fluid-crystal coexistence regions. All samples spontaneously formed MgZn2 type…