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  • articleNo Access

    Optical, physical and structural study of cadmium sodium bismuth borate glasses system

    The classic melt-quench method was used to make unique transparent cadmium sodium bismuth borate glasses with a composition of xCdO (18x) Na2O18Bi2O364B2O3; for (x=0, 6, 8, 10, 12). Different analytical equipment such as XRD, UV-Vis-NIR, Raman, DSC, and FTIR were employed to characterize and analyze the manufactured glass samples. The density and oxygen packing density of produced glass samples increased linearly with CdO addition, whereas the molar volume decreased. The X-ray diffraction method was employed to anticipate the amorphous nature of the prepared glass samples. The structural alterations of the generated glasses were investigated using FTIR and RAMAN spectra. DSC was employed to assess the thermal characteristics related to the crystallization temperature (Tp) and glass transition temperature (Tg). DSC demonstrates the result that CdO content contributes most to enhancing the thermal stability of glasses. The (Tg) values increased while (Tp) values decreased as CdO substitution increased. Infrared and Raman spectroscopy were used to conduct a thorough examination of structure, which revealed that these glasses were comprised of both symmetric and asymmetric stretched vibrations of bonds. The absorption spectra in the ultraviolet-visible range of the samples indicated a reduction in the optical bandgap as CdO content increased. All the findings indicate that the CdO level in glass samples acts as a network modulator, while BO4 does not.

  • articleNo Access

    CALCULATION OF VOLUME AS FUNCTIONS OF TEMPERATURE AND PRESSURE IN ICE I CLOSE TO THE MELTING POINT

    We calculate in this study the volume of ice I as functions of temperature and pressure close to the melting point by analyzing the experimental data for the thermal expansivity. Using an approximate relation, the temperature dependence of the volume is calculated at 202.4 MPa from the thermal expansivity of ice I. The pressure dependence of the volume is also calculated at 252.3 K from the isothermal compressibility of ice I close to the melting point.

    The volume calculated here as functions of temperature and pressure shows critical behavior close to the melting point in ice I, which can be tested by the experimental measurements.

  • articleNo Access

    CALCULATION OF THE MOLAR VOLUME IN THE SOLID AND LIQUID PHASES OF CCl4

    The molar volume of carbon tetrachloride is calculated as functions of temperature and pressure close to the melting point. By analyzing the experimental data for the pressure dependence of the thermal expansivity according to a power-law formula, the molar volume is calculated for the solid and liquid phases of this molecular organic compound.

    Our calculations show that the molar volume of the solid phase increases almost linearly as the temperature and pressure increase, so that there is no anomalous behavior close to the melting point in CCl4. In the liquid phase, it does not vary considerably within the given pressure and temperature ranges. Our calculated molar volumes can be compared with measurements for CCl4 under the given pressure and temperature variations.

  • articleNo Access

    Molecular dynamics simulation of the molar volumes and solubility parameters of straight alkanes

    The straight chain n-alkanes used as core materials to fabricate nanoencapsulated and microencapsulated phase change of materials (PCM) have received much attention in recent years. The dissipative particle dynamics (DPD) simulation method has been emerged to investigate the encapsulated PCM from the perspective of mesoscopic. To obtain the Flory–Huggins and repulsion parameters, which is essential for the DPD study, the molar volume and solubility parameter of straight alkanes are investigated by using molecular dynamics (MD) simulation. The results showed that a linear relationship of molar volume (V) with carbon atom number (n) and simulation temperature (T) can be obtained as: V = -31.73 + 0.26T + 14.82n. A nonlinear relationship of solubility parameter (δ) with carbon atom number and simulation temperature can be described as: δ = 18.45-3.66 ×10-2n + 1.07T - 1.20 ×10-5n2 - 9.60 ×10-2T2 - 2.49 ×10-3nT. The equations can be used as a reference for the further DPD simulation in n-alkanes based PCM system.

  • articleNo Access

    Pb-free solders: Predicting of some physicochemical properties of Ag–Cu–Sn material at different temperatures

    In this paper, the surface tension, molar volume and density of liquid Ag–Cu–Sn alloys have been calculated using Kohler, Muggianu, Toop, and Hillert models. In addition, the surface tension and viscosity of the Ag–Cu–Sn ternary alloys at different temperatures have been predicted on the basis of Guggenheim and Seetharaman–Sichen equations, respectively. The results show that density and viscosity decrease with increasing tin and increasing temperature for the all studied models. While the surface tension shows a different tendency, especially for the Kohler and Muggianu symmetric models. On the other hand, the molar volume increases with increase of temperature and tin compositions. The calculated values of surface tension and density of Ag–Cu–Sn alloys are compared with the available experimental values and a good agreement was observed.

  • articleNo Access

    Modeling of some physicochemical properties in the liquid Au–Bi–Sn alloys relevant for Pb-free soldering

    In this paper, some geometrical models such as Kohler, Muggianu, Toop, and Hillert have been used to estimate the molar volume of Au–Bi–Sn ternary systems based on the data of sub-binary systems over a wide temperature range (673–973K). The density of Au–Bi–Sn alloys was calculated from the calculated molar volume and using theoretical equation along three cross-sections xAu/xBi=1/2, 1/1 and 2/1. In addition, the viscosity of Au–Bi–Sn alloys was calculated by using Seetharaman–Sichen equation over a wide temperature range (673–1273K). The density of these alloys show linear dependence on temperature for all investigated compositions, while the molar volumes increase with increasing temperature and Sn compositions. The results show, as a function of temperature, that the increase in concentration of tin influences the viscosity of the Au–Bi–Sn alloys. The calculated values of density of Au–Bi–Sn alloys are compared with the experimental values reported in the literature, and a good agreement was observed.

  • articleNo Access

    Theoretical investigation of some physicochemical properties in the liquid Sn–Ag–Cu alloys

    Some physicochemical properties such as surface tension, molar volume, density and viscosity of liquid Sn–Ag–Cu alloys have been calculated using Kohler, Muggianu, Toop and Hillert geometrical models along three cross-sections namely xAg/xCu=12, 1/1 and 2/1. Indeed, Guggenheim, Kozlov–Romanov–Petrov and Kaptay equations have also been extended to estimate the surface tension and viscosity based on the thermodynamic data of the investigated system over wide temperature ranges of 823–1123K and 773–1173K, respectively. The results show that the three investigated properties, surface tension, density and viscosity, decrease with increasing tin for all studied models. On the other hand, a different behavior of these properties as a function of the temperature was noted. This evolution depends on the composition of the studied alloys.

    On the contrary, the molar volume increases with increase of temperature and tin compositions. It should be noted that the surface tension, density and molar volume show a linear dependence on temperature for all the investigated compositions. For viscosity, a curvilinear dependence has been observed. The calculated surface tensions and densities were compared with those reported experimentally for Sn–Ag–Cu alloys along the cross-section xAg/xCu=1/1.

  • chapterNo Access

    1: Introduction

      Some people think that carbon and sustainable development are not compatible. This textbook shows that carbon dioxide (CO2) from the air and bio-carbon from biomass are our best allies in the energy transition, towards greater sustainability. We pose the problem of the decarbonation (or decarbonization) of our economy by looking at ways to reduce our dependence on fossil carbon (coal, petroleum, natural gas, bitumen, carbonaceous shales, lignite, peat). The urgent goal is to curb the exponential increase in the concentration of carbon dioxide in the atmosphere and hydrosphere (Figures 1.1 and 1.2) that is directly related to our consumption of fossil carbon for our energy and materials The goal of the Paris agreement (United Nations COP 21, Dec. 12, 2015) of limiting the temperature increase to 1.5 degrees (compared to the pre-industrial era, before 1800) is becoming increasingly unattainable (Intergovermental Panel on Climate Change (IPCC), report of Aug. 6, 2021). On Aug. 9, 2021 Boris Johnson, prime minister of the United Kingdom, declared that coal needs to be consigned to history to limit global warming. CO2 has an important social cost…