University of Sistan and Baluchestan

In this study, electronic and thermoelec. properties of bilayer GeB/BP have been investigated by combining the first-principles calculations based on d. functional theory and the semi-classical Boltzmann transport equations.The dynamical and chem. stabilities of bilayer GeB/BP are confirmed via their phonon spectra and cohesive energy.The electronic band structure of bilayer GeB/BP has been calculated using the generalized gradient approximation (GGA) and hybrid functional theory (HSE06).The energy band gaps of bilayer GeB/BP are found to be 0.19 eV (indirect) and 0.26 eV (direct) for GGA and HSE06, resp.The electronic transport coefficients (Seebeck coefficient, elec. conductivity, thermal conductivity, and figure of merit (ZT)) exhibit an isotropic behavior.The calculations show that the bilayer GeB/BP is a p-type semiconductor.At room temperature, the Seebeck coefficient and figure of merit were determined to be 317 μV/K and 0.9, resp.In addition to the electronic computations for the unstrained bilayer GeB/BP, calculations related to strain are also carried out.The application of compressive strain could lead to a transition from a semiconductor to a metal.Our results have suggested that the bilayer GeB/BP would be a perfect candidate for highly efficient thermoelec. materials.

Liquid desiccant air conditioning (LDAC) systems offer a promising solution for enhancing indoor thermal comfort, air quality, humidity control, and energy efficiency.This study focuses on the critical aspect of regenerating liquid desiccants in LDAC systems, which has the potential to enhance system efficiency and performance significantly.Using computational fluid dynamics (CFD) to model direct contact membrane distillation (DCMD) for liquid desiccant regeneration and freshwater production, this research paves the way for improving the performance of LDAC systems.The DCMD process, which involves mass transfer across a membrane driven by a temperature gradient between the permeate and feed channels, is a key area of exploration in this study.The findings of this study have significant implications for the design and operation of LDAC systems.The impact of feed inlet velocity and temperature on vapor flux for liquid desiccant regeneration is substantial, with increasing the feed inlet temperature leading to a fourfold increase in water vapor flux.Similarly, increasing the feed inlet velocity boosts flux due to enhanced convective heat transfer.Membrane characteristics, such as porosity and thickness, are key determinants of system performance.These findings underscore the importance of optimizing these parameters for efficient liquid desiccant regeneration and freshwater production in LDAC systems, thereby enhancing their overall performance and energy efficiency.Finally, a math. model for water vapor flux was developed to investigate water vapor flux as a function of key factors such as inlet temperature, velocity, liquid desiccant concentration, and membrane characteristics.

Abstract: The aim of this research is the identification of the changes in anion- and solvent-dependent polaronic transitions and the ratio of acid to monomer during the polymerization of new poly(ortho-methoxyaniline) nanosilica-supported sulfuric acid emeraldine salt1/salt2 (POMA-NSSSA-ES1/ES2) nanocomposites.The synthesis is done by doping poly(ortho-methoxyaniline)-emeraldine base (POMA-EB) in the presence of nanosilica-supported sulfuric acid (NSSSA) under solid-state condition.The structure, size, and morphol. of all samples were identified using spectroscopy methods.Effect of acid concentration (0.5, 1.5, and 2.0) and low- and high-valent sulfate anion (H₂SO₄/HSO₄^- Vs. HSO₄^-/SO₄^2-) on polaronic transitions of poly(ortho-methoxyaniline) nanocomposites in different solvents (NMP, MCR, DMSO, and MeOH), and conductivity were studied.Afterwards, changes in polaron mutations under changing conditions were analyzed.Increasing the acid concentration compared to the monomer increases the absorption number (λ_max) in the UV-Vis study along with hypsochromic effect (blueshift) and bathochromic effect (red shift) in low acid concentration for polaronic transition.The anion effect proved that by increasing the neg. charge of the anion (SO₄^2-) due to the limiting potential of the polaron and bipolaron structures, it prevents the creation of delocalized polaron structure with no change in the POMA-NSSSA-ES2 nanocomposite conductivityResults showed that the average size of nanocomposite particle obtained by this method was a range of 40-50 nm and the morphol. of nanocomposites was spherical (nanospheres).POMA-NSSSA nanocomposites were completely in a doped state and the emeraldine salt from of POMA.During this research, for the first time, the polaronic orbital energy level was determinedGraphical abstract: