Variation Of Enthalpy Research Articles

A novel potato peels waste β-cyclodextrin biocomposite for the efficient uptake of diuron and glyphosate herbicides.

A novel biocomposite (FPPW-β-CD) was prepared by a simple and sustainable method involving fine potato peel waste, β-cyclodextrin (β-CD), and green citric acid through the crosslinking reaction. The polymer was characterized using SEM, FTIR, XRD, TGA, and DSC analyses. The adsorbent performance was evaluated about the glyphosate and diuron adsorption from the aqueous solution. Pesticide removal was investigated regarding the influence of solution pH, temperature, and initial concentration of contaminants. Also, it highlights the main interactions involved in the adsorption phenomenon based on the pH effect and characteristics of adsorbent and adsorbate molecules. The maximum adsorption capacity values according to the Sips model were higher than 2000µgg-1. The pseudo-second-order and general-order models described the kinetic data well. Thermodynamic parameters indicated that pesticide removal was spontaneous and favorable. The magnitude of enthalpy variation values (27.37kJmol-1 and - 100.79kJmol-1) revealed that the glyphosate and diuron adsorption occurred through the physisorption and chemisorption, respectively. The novel biocomposite is a promising green adsorbent for the uptake of micropollutant pesticides in aqueous solutions at concentrations of µg L-1.

A novel approach on artificial aging of nylon 12 powder for laser powder bed fusion

PurposeThis study aims to address challenges in the Laser Powder Bed Fusion process of polymers, focusing on the considerable amount of unsintered powder left post-printing. The objective is to understand the altered properties of this powder and find solutions to improve the process, reduce waste and explore reusing reprocessed powder.Design/methodology/approachA novel methodology is used to generate reprocessed powder without traditional printing, reducing time, cost and waste. The approach mimics the ageing effects during the printing process, providing insights into particle size distribution and thermal behaviour.FindingsResults reveal insights into artificial ageing, showing an 8.2% decrease in particle size (60.256–69.183 µm) and a 9.1% increase in particle size (17.378–19.953 µm) compared to unsintered powder. Thermal behaviour closely mirrors used powders, with variations in enthalpy of fusion (−0.55% to 2.69%) and degree of crystallinity (0.19% to 2.64%). The proposed methodology produces results that differ from those due to printing under 3% from a thermal point of view. The new process reduces the time needed for aged powder, contributing to cost savings and waste reduction.Originality/valueThe study introduces a novel method for reprocessed powder generation, deviating from traditional printing. The originality lies in artificially ageing powders, providing comparable results to actual printing. This approach offers efficiency, time savings and waste reduction in the Laser Powder Bed Fusion process, presenting a valuable avenue for further research.

Removal of phenazopyridine from water, synthetic urine, and real sample by adsorption using graphene oxide: A DFT theoretical/experimental approach

Herein, graphene oxide was used as the highly efficient phenazopyridine adsorbent from aqueous medium, synthetic, and human urine. The nanoadsorbent was characterized by different instrumental techniques. The adsorption capacity (1253.17 mg g−1) was reached at pH 5.0, using an adsorbent dosage of 0.125 g L−1 at 298 K. The Sips and Langmuir described the equilibrium data well. At the same time, the pseudo-second order was more suitable for fitting the kinetic data. Thermodynamic parameters revealed the exothermic nature of adsorption with an increase in randomness at the solid-liquid interface. The magnitude of the enthalpy variation value indicates that the process involves the physisorption phenomenon. At the same time, ab initio molecular dynamics data corroborated with the thermodynamic results, indicating that adsorbent and adsorbate establish hydrogen bonds through the amine groups (adsorbate) and hydroxyl groups on the adsorbent surface (weak interactions). Electrostatic interactions are also involved. Additionally, the adsorption assays conducted in simulated medium and human urine showed the excellent performance of adsorbent material to remove the drug in real concentrations excreted by the kidneys (removal values higher than 60%).

Element-based finite volume method applied to autogenous bead-on-plate GTAW process using the enthalpy energy equation

The welding process is the most used technique for metal joining. Understanding the temperature variation along the welded part during the process can prevent the appearance of failures. The experimental investigation process is quite time-consuming and costly. Therefore, numerical simulation processes based on the finite difference method, finite element method, finite volume method, or meshless Element-Free Galerkin (EFG) methods are important tools to optimize the welding process. The main goal of the present study is to show the feasibility of the Element-based Finite-Volume Method (EbFVM) approach for actual engineering applications. To solve the unsteady 2D and 3D thermal energy equation using enthalpy as an independent variable, an in-house Fortran code has been developed based on the EbFVM approach in conjunction with unstructured and structured meshes. The numerical simulations, with four types of different heat sources, were performed for applications of real welding processes with variations in density and enthalpy as a function of temperature. The results are presented in terms of thermal cycles and temperature fields. Furthermore, the developed code was confronted against experimental works from the literature, simulated and lab-controlled experiments with AISI 409 ferritic workpieces, and exact analytical solutions with thermocouples fixed in different positions. In general, the numerical results from the current investigation are in close agreement with the results from the literature and the experimental results performed by the authors. The numerical results also highlighted the differences between the 2D and 3D models for thermal cycles near the bead weld.

Local strain heterogeneity associated with Al/Si ordering in anorthite, CaAl2Si2O8, with implications for thermodynamic mixing behavior and trace element partitioning in plagioclase feldspars

Abstract Hard Mode IR powder absorption spectroscopy has been used to characterize local strain relaxation associated with Al/Si ordering in a suite of synthetic anorthite samples with structural states that vary from a high degree of Al/Si order through a metastable incommensurate structure at intermediate states of order to long-range order with I1 symmetry. The dominant feature accompanying the changing structural states is line broadening, which has been quantified by autocorrelation analysis and is attributed to local heterogeneous strain variations on a length scale of at least 1–5 unit cells. The autocorrelation results are consistent with contributions to the line broadening as being due to order parameters for both the C1 → I1 and I1 → P1 transitions, which couple biquadratically, λQod2Qdispl2. Close correlation with enthalpy variations from previously published calorimetric data indicates that the driving force for ordering can be understood in terms of elimination of strain fields arising from accommodating more or less rigid AlO4 and SiO4 tetrahedra in the feldspar framework. The metastable incommensurate structure of anorthite is closely analogous to the stable incommensurate structure that develops at intermediate compositions in the plagioclase solid solution, confirming that the same strain relaxation mechanism dominates the properties and behavior of all structural states across the solid solution. Elimination of strain heterogeneity by ordering on the basis of I1 symmetry determines the form of non-ideal mixing shown by the solid solution at high temperatures, and changes in elastic properties may contribute to a break in the slope of partitioning of trace elements between crystals and melt.

Combustion Characteristics, Kinetics and Thermodynamics of Peanut Shell for Its Bioenergy Valorization

To realize the utilization of peanut shell, this study investigates the combustion behavior, chemical kinetics and thermodynamic parameters of peanut shell using TGA under atmospheric air at the heating rates of 10, 20, and 30 K/min. Results indicate that increasing the heating rate leads to higher ignition, burnout, and peak temperatures, as observed in the TG/DTG curves shifting to the right. Analysis of combustion performance parameters suggest that higher heating rates can enhance combustion performances. Kinetic analysis using two model-free methods, KAS and FWO, shows that the activation energy (Eα) ranges from 93.30 to 109.65 kJ/mol for FWO and 89.72 to 103.88 kJ/mol for KAS. The data fit well with coefficient of determination values (R2) close to 1 and the mean squared error values (MSE) less than 0.006. Pre-exponential factors using FWO range from 2.19 × 106 to 8.08 × 107 s–1, and for KAS range from 9.72 × 105 to 2.25 × 107 s–1. Thermodynamic analysis indicates a low-energy barrier (≤±6 kJ/mol) between activation energy and enthalpy changes, suggesting easy reaction initiation. Furthermore, variations in enthalpy (ΔH), Gibbs free energy (ΔG), and entropy (ΔS) upon conversion (α) suggest that peanut shell combustion is endothermic and non-spontaneous, with the generation of more homogeneous or well-ordered products as combustion progresses. These findings offer a theoretical basis and data support for the further utilization of agricultural biomass.

Fibrinolytic enzyme from Arthrospira platensis: Kinetic and thermodynamic investigation

Fibrinolytic enzymes from microorganisms have been investigated by their potential application as thrombolytic agents. Previous studies show that the fibrinolytic enzyme from Arthrospira platensis (FEAP) is stable at human physiological temperature (<50 °C) and pH (6.0–10.0). Understanding of the kinetic/thermodynamic characteristics is important to make the advances for industrial applications feasible. Therefore, a kinetic/thermodynamic analysis of FEAP was performed on the fibrin hydrolysis and enzyme thermoinactivation. Results showed two Michaelis-Menten-type profiles with two plateaus, revealing high affinity for the substrate with low Michaelis constant values (0.02 and 6.37 µg∙mL−1). The activation energy of the hydrolysis catalyzed by FEAP and the standard enthalpy variations of reversible enzyme unfolding were 49.65 and 107.01 kJ∙mol−1, respectively. When the temperature increased from 40 to 70 °C, the deactivation rate constant increased from 0.0050 to 0.0134 min−1, while the half-life decreased from 138.62 to 51.72 min. These results allowed to estimate the activation energy (E*d = 27.50 kJ∙mol−1), enthalpy (24.64 ≤ ΔH*d ≤ 24.89 kJ∙mol−1), entropy (−209.86 ≤ ΔS*d ≤ −210.10 J∙mol−1∙K−1), and Gibbs free energy (90.61 ≤ ΔG*d ≤ 96.74 kJ∙mol−1) of thermal denaturation. The data suggest that FEAP is a promising and thermostable biocatalyst that could be exploited for industrial applications.

Temperature dependence investigations of molecular interactions and excess thermodynamic parameters of binary mixtures of ionic liquids and water using Flory's statistical theory

AbstractFlory's Statistical Theory (FST) has been applied to investigate excess thermodynamical parameters viz., excess enthalpy, excess entropy, and excess Gibbs free energy for eight binary mixtures of ionic liquids and water at different concentration and temperatures. The concentration and temperature dependent variations of excess enthalpy suggest that ionic liquid mixtures exhibit an endothermic nature and the presence of weak dispersive forces among their constituents. The positive excess Gibbs free energy of mixing points out that the pure components do not mix thoroughly for the systems under study. Overall, these binary systems are thermodynamically unfavorable suggesting that the mixing of ionic liquids and water is not energetically favored or spontaneous. Experimental molar volumes are compared with those calculated using FST and these values show excellent agreement. It affirms the validity of FST's application to these systems. Additionally, some partial properties have also been determined to explore the solute‐solvent interactions. The Redlich‐Kister (R‐K) polynomial model has been applied to excess thermodynamical parameters The high R2 values and low standard deviation values confirm the validity of fitting the RK polynomial model to the functions obtained using FST of liquids for these systems within the given temperature range.

Temperature Dependence of the Polar and Lewis Acid-Base Properties of Poly Methyl Methacrylate Adsorbed on Silica via Inverse Gas Chromatography.

The adsorption of polymers on solid surfaces is common in many industrial applications, such as coatings, paints, catalysis, colloids, and adhesion processes. The properties of absorbed polymers commonly vary with temperature. In this paper, inverse gas chromatography at infinite dilution was used to determine the physicochemical characterization of PMMA adsorbed on silica. A new method based on the London dispersion equation was applied with a new parameter associating the deformation polarizability with the harmonic mean of the ionization energies of the solvent. More accurate values of the dispersive and polar interaction energies of the various organic solvents adsorbed on PMMA in bulk phase and PMMA/silica at different recovery fractions were obtained, as well as the Lewis acid-base parameters and the transition temperatures of the different composites. It was found that the temperature and the recovery fraction have important effects on the various physicochemical and thermodynamic properties. The variations in all the interaction parameters showed the presence of three transition temperatures for the different PMMA composites adsorbed on silica with various coverage rates, with a shift in these temperatures for a recovery fraction of 31%. An important variation in the polar enthalpy and entropy of adsorption, the Lewis acid-base parameters and the intermolecular separation distance was highlighted as a function of the temperature and the recovery fraction of PMMA on silica.

Molecular interaction between cypermethrin and myoglobin: Spectroscopy and molecular dynamics simulation analysis

Pesticides are essential agricultural chemicals to kill harmful organisms that have been utilized a lot in recent years, but their excessive use has become a great menace to mankind's health. In this study, the effect of cypermethrin (CYP) on myoglobin (Mb) was determined to evaluate the toxicity of insecticides at the protein level using molecular modeling, steady-state fluorescence, ultraviolet–visible (UV–Vis), and FTIR. The Fluorescence spectroscopy displayed that the Mb fluorescence quenched by CYP was the outcome of CYP-Mb composite production. Effective quenching constants (Kq) parameters at three different temperatures were calculated using the modified Stern-Volmer equation to be 1.81 × 1012, 5.16 × 1012, and 6.69 × 1012 M−1S−1, respectively. According to calculations, the enthalpy variation (ΔH°) and entropy alteration (ΔS°) were 168.11 kJ mol−1 and 610.51 J.mol−1K−1, respectively, showing that hydrophobic bonds were the main intermolecular power stabilizing the complex. FTIR spectroscopy demonstrated that CYP could alter Mb's global and local conformation, showing its potential toxicity and the structural harm it could inflict. The findings provided important information about the potential toxicity risk of CYP to human health.

The impact of chemical properties of the solid-liquid-adsorbate interfaces on the entropy-enthalpy compensation involved in adsorption.

Despite extensive studies on the thermodynamic mechanism governing molecular adsorption at the solid-water interface, a comprehensive understanding of the crucial role of interface properties in mediating the entropy-enthalpy compensation during adsorption is lacking, particularly at a quantitative level. Herein, we employed two types of surface models (hydroxyapatite and graphene) along with a series of amino acids to successfully elucidate how distinct interfacial features dictate the delicate balance between entropy and enthalpy variations. The adsorption of all amino acids on the hydroxyapatite surface is an enthalpy-dominated process, where the water-induced enthalpic component of the free energy and the surface-adsorbate electrostatic interaction term alternatively act as the driving force for adsorption in different regions of the surface. Although favorable interactions are observed between amino acids and the graphene surface, the entropy-enthalpy compensation exhibits dependence on the molecular size of the adsorbates. For small amino acids, favorable enthalpy changes predominantly determine their adsorption behavior; however, larger amino acids tend to bind more tightly with the graphene surface, which is thermodynamically dominated by the entropy variations despite the structural characteristics of amino acids. This study reveals specific entropy-enthalpy mechanisms underlying amino acid adsorption at the solid-liquid interface, providing guidance for surface design and synthesis of new biomolecules.

Influence of the solvent on the sensitization of nanostructured electrodes of TiO2 for solar cells sensitized with a natural dye extracted from purple corn: Molecular dynamic simulation and experimental validation

This study uses molecular dynamics (MD) simulations and experiments to explore the interaction between titanium dioxide (TiO2) and cyanidin-3-glucoside (C3G), the main compound in purple corn, in the context of sensitized solar cells. dyes (DSSCs). Different proportions of water and ethanol in the solvent were applied. MD revealed the effective chemisorption of C3G and significant variations in the equilibrium enthalpy, indicating the influence of the solvent composition on the stability of the TiO2/C3G system. The negative adsorption energies (EAds) reveal favourable adsorption processes. A possible formation of solvation shells was observed near the TiO2 nanoparticle. The experimental results supported the simulation predictions, highlighting the system with 25 % water and 75 % ethanol (W1E3) as the most efficient. The formation of solvation shells facilitates C3G adsorption, improving anchoring and reducing unwanted electron recombinations. The results provide essential information for the selection of optimal solvents in future photovoltaic applications, contributing to the improvement of the performance of these solar cells.

Negative Enthalpy Variation Drives Rapid Recovery in Thermoplastic Elastomer.

The mechanism behind the resilience of polymeric materials, typically attributed to the well-established entropy elasticity, often ignores the contribution of enthalpy variation (ΔH), because it is based on the assumption of an ideal chain. However, this model does not fully account for the reduced resilience of thermoplastic polyurethane (TPU) during long-range deformation, which is mainly caused by the dynamics of physical crosslink networks. Such reduction is undesirable for long-range stretchable TPU considering its wide application range. Therefore, a negative ΔH effect is established in this work to facilitate instant recovery in long-range stretchable TPU, achieved by constructing a reversible interim interface via strain-induced phase separation. Consequently, the newly constructed dual soft segmental TPU shows resilience efficiency exceeding 95%, surpassing many synthetic high-performance TPUs with typical efficiencies below 80%, and comparable to biomaterials. Moreover, a remarkable hysteresis loop with a ratio exceeding 50%, makes it a viable candidate for applications such as artificial ligaments or buffer belts. The research also clarifies structural factors influencing resilience, including the symmetry of the dual soft segments and the content of hard segments, offering valuable insights for the design of highly resilient long-range stretchable elastomers.

Experimental measurement and modeling of lattice thermal expansion and specific heat capacity of C15-Cr2Nb Laves phase intermetallic compound

In order to determine the lattice thermal expansion and specific heat capacity (Cp) of the C15-Cr2Nb Laves phase, an experimental investigation and modeling were carried out in the present paper by employing high-temperature X-ray diffraction (HTXRD) and differential scanning calorimetry (DSC). A thorough analytical model was utilized to predict the temperature-dependent variations of enthalpy and specific heat, and the predicted findings were compared to the experimentally measured data. Arc melting was employed to synthesize Cr2Nb samples with distinct hexagonal (C14/C36) and cubic (C15) Laves phase structures, which were then subjected to the appropriate heat treatment. Room temperature XRD patterns, SEM, and EDAX experiments on homogenized samples at 1273 K for 72 h validated the homogeneity and C15 (Fd-3 m) crystal structure of Cr2Nb. Rietveld refinement was used to determine the lattice parameters and relative phase fractions of the constituent phases. The average thermal expansion coefficient was determined to be αai = 0.659 × 10−5 and αVi = 1.977 × 10−5 K−1 respectively. The Cp of the C15-Cr2Nb Laves phase intermetallic compound was measured employing heat flux DSC, utilizing conventional “three-step” procedures, and being reported for the first time. The measured Cp and enthalpy increment data (HT – H298.15) with varying temperatures reported in the present investigation are being correlated utilizing the theoretical model applying the quasi-harmonic Debye Grüneisen model in the temperature range 0–860 K and illustrated different contributions to the total heat capacity i.e., vibrational, anharmonic, and electronic.

“Adsorptive removal of Congo Red dye from its aqueous solution by Ag–Cu–CeO2 nanocomposites: Adsorption kinetics, isotherms, and thermodynamics”

Eliminating synthetic dyes and organic contaminants from water is crucial for safeguarding human health and preserving the environment. In this study, we explored the effectiveness of Ag–Cu–CeO2 nanocomposites as adsorbents to remove Congo Red dye from water. Three compositions of Ag–Cu–CeO2 nanocomposites (10:20:70, 15:15:70, and 20:10:70) have been synthesized by the aqueous coprecipitation method. A comprehensive analysis was performed by different techniques including X-ray diffraction, Fourier transform infrared spectroscopy, BET surface area determination, Thermogravimetric analysis, Scanning electron microscopy, and TEM. The synthesized nanocomposites have a dimension of 5 ± 1 nm and a high surface area (51.832–78.361 m2g-1).Among these, the nanocomposite with composition 15:15:70 showed the highest adsorption capacity of 4.71 mg/g adsorption (96.83 % removal) from the 0.8 × 10−4 M (55.6 mg/l) Congo Red solution at pH values of 2 at 20 °C with contact time of 3h. The adsorption data is best fitted in the Freundlich adsorption isotherm and pseudo-second-order kinetic model. The negative values of enthalpy variation (−27.57, −26.43, and −16.73 kJ/mol) demonstrated that the adsorption was spontaneous and exothermic. The cycling run showed a mere 12 % deactivation after five cycles of use thus indicating that Ag–Cu–CeO2 nanocomposites hold great potential as effective and eco-friendly adsorbents to remove Congo Red from water.

Improving biomass fuel obtained from Brazil nut residues via torrefaction: A case of kinetic and thermodynamic study

The residues of Brazil nuts (Bertholletia excelsa) were evaluated, in their natural state and in torrefied form, for their energy potential after pyrolysis. Samples of shells (BNS) and husks (BNH) were torrefied at 220, 260 and 300 ºC for 30 and 60 min, and were characterized for their chemical and energetic composition. It was also determined which samples showed, simultaneously, the lowest hemicellulose content and the highest cellulose content after torrefaction via analysis of the decomposition profile at 10 ºC/min under pyrolysis. The evolution of gases such as H2O, CO2 and/or C3H8, and CH4 was observed by simulated pyrolysis on a microscale in a thermogravimetric analyzer coupled to a mass spectrometer (TGA-MS). In addition, the kinetics of the pyrolysis of untorrefied and torrefied samples were evaluated using the Flynn-Wall-Ozawa (FWO) and Vyazovkin (VYZ) models in order to obtain the activation energy, pre-exponential factor and thermodynamic parameters. The predominant reaction mechanism was determined by Criado Master-plot method. The mean value of the activation energies ranged from 132.24 to 134.95 kJ/mol for BNS, from 135.53 to 138.47 kJ/mol for ST263, from 149.10 to 150.96 kJ/mol for BNH and from 145.83 to 148.14 kJ/mol for HT263. It was found that D2 and D4 diffusion mechanisms are prevalent in the decomposition of untorrefied samples, while torrefied samples were better adjusted to the F1/A2/A3/A4 overlapping nucleation models. High pre-exponential factor values indicated the presence of multiple intermolecular collisional reactions. The thermodynamic parameters evaluated, as well as the variations in enthalpy, Gibbs free energy and entropy, indicated that the evaluated process is endothermic, though requires little energy. As a whole, in view of the optimized parameters and elevation of the thermal stability of the material, the results demonstrate good potential for the use of Brazil nut shells and husks torrefied at 260 ºC for 30 min as biochar. In addition, pyrolyzed Brazil nut residues also have great potential in the production of bio-oil and biogas, in view of the high content of volatile matter released during the decomposition of the hemicellulose and lignin.

Catalytic effect of high thermal conductive SiC on the kinetics and thermodynamics of vulcanization reaction of SBR/BR-filled nano-SiC

Nano-silicon carbide (SiC) as a high thermal conductive material with an intrinsic thermal conductivity of ~ 490 W/m K was used to improve the cure characteristics, kinetics, and thermodynamics of curing reaction of styrene-butadiene rubber/butadiene rubber (SBR/BR) compounds. The considerations were carried out by non-isothermal differential scanning calorimetry (DSC). Results revealed that the presence of SiC shifted the peak and end temperatures of the curing peak to lower temperatures. The calculated activation energy of the curing reaction based on the Kissinger approach showed a descent from 409.8 to 93.8 kJ/mol by adding SiC from 0 to 7.5 phr (part per hundred rubber). Moreover, the obtained Gibbs free energy variation and equilibrium constant of the curing reaction proved that the reaction was absolutely forced and irreversible, which can be increasingly characterized as a one-way process. According to the results, SiC accelerated the curing reaction because of the increment of heat transfer into the compound. This phenomenon caused the increment of enthalpy variation of the vulcanization reaction, particularly at the SiC content of 5 phr. The achieved kinetic parameters via fitting an autocatalytic model based on the Sestàk–Berggren model by the Màlek method to describe the kinetics of the curing reaction indicated that the SiC filler had a catalytic effect on the curing reaction of SBR/BR-SiC, particularly after 2.5 phr of the filler.

Effects of Methyl Substitution and Leaving Group on E2/SN2 Competition for Reactions of F- with RY (R = CH3, C2H5, iC3H7, tC4H9; Y = Cl, I).

The competition between base-induced elimination (E2) and bimolecular nucleophilic substitution (SN2) is of significant importance in organic chemistry and is influenced by many factors. The electronic structure calculations for the gas-phase reactions of F- + RY (R = CH3, C2H5, iC3H7, tC4H9, and Y = Cl, I) are executed at the MP2 level with aug-cc-pVDZ or ECP/d basis set to investigate the α-methyl substitution effect. The variation in barrier height, reaction enthalpy, and competition of SN2/E2 as a function of methyl-substitution and leaving group ability has been emphasized. And the nature of these rules has been explored. As the degree of methyl substitution on α-carbon increases, the E2 channel becomes more competitive and dominant with R varying from C2H5, iC3H7, to tC4H9. Energy decomposition analysis offers new insights into the competition between E2 and SN2 processes, which suggests that the drop in interaction energy with an increasing degree of substitution cannot compensate for the rapid growth of preparation energy, leading to a rapid increase in the SN2 energy barrier. By altering the leaving group from Cl to I, the barriers of both SN2 and E2 monotonically decrease, and, with the increased number of substituents, they reduce more dramatically, which is attributed to the looser transition state structures with the stronger leaving group ability. Interestingly, ∆E0‡ exhibits a positive linear correlation with reaction enthalpy (∆H) and halogen electronegativity. With the added number of substituents, the differences in ∆E0‡ and ∆H between Y = Cl and I likewise exhibit good linearity.

Preparation of new alginate capsules enclosing diatomite and organic extractants to uptake lanthanum

The present study conducted syntheses of Ca-alginate composite beads, which involved trioctyl-amine (TOA), tributyl phosphate (TBP), trioctylphosphine oxide (TOPO) organic extractants, and diatomite for separation of La(III) ions from dilute aqueous solutions. The surface morphology of the capsules was examined under Scanning Electron Microscopy, while their chemical structure was characterized using Fourier Transform Infrared Spectroscopy. Alginate composites were prepared by adding concentrations of TBP (1%–10%), TOPO (0.005 M–0.09 M) and TOA (1%–10%) organic extractants to the Na-alginate-diatomite mixture.The effects of various parameters on adsorption such as solution pH, contact time, metal ion concentration, and temperature, were individually tested using standard solutions of La(III). The maximum uptake capacity of the alginate composite adsorbent, consisting of TOA, diatomite, and alginate for La(III) ions, was examined at 25 °C. Adsorption data were analyzed using Langmuir, Freundlich, Dubinin–Radushkevich (D-R), Temkin, Flory-Huggins and Brunauer, and Emmett and Teller (BET) isotherm models. The biosorption isotherm parameters were estimated by both linear and nonlinear regression analyses. The results indicate that the Langmuir model provides a better fit than the other models for the adsorption equilibrium data.Thermodynamic parameters such as variations of enthalpy, entropy, and Gibbs free energy were calculated. The maximum uptake capacity of the alginate composite adsorbent, including TOA, diatomite, and alginate for La(III) ions from aqueous solutions was found to be 146.4 mg/g. The adsorption efficiency in dilute solutions was determined to be 97.2%.

Off Design Performance Analysis of a Turbo Shaft Engine

The off-design performance of a gas turbine engine is strongly influenced by the characteristics of individual components. It involves the interplay of a large number of variables and would require a detailed computer code. In this paper, an effort is made to predict the influence of performance characteristics of individual components on the off-design performance of the engine. For this purpose, a computer code is developed with necessary iterations and convergence criteria. Parameters are estimated with respect to speeds ranging from 39500 rpm to 50500 rpm for a typical turbo-shaft engine with free power turbine. The effect of altitude on these parameters up to 6 km is also studied. Variation of specific heat and enthalpy with respect to temperature and fuel to air ratio is considered to estimate the performance calculations more accurately and to simulate a real engine behavior as close as possible.