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38 articles for “thermodynamic properties”
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Simplified Models for Some Thermodynamic Properties of Saturated Water in a Pressurized Water Reactor
Abstract: The properties of water and steam in a pressurized water reactor (PWR) need constant monitoring to understand what goes on in the PWR. Such properties include the thermodynamic properties, namely, specific volume, specific enthalpy, specific entropy and specific heat. This work is focused on calculating these properties of saturated water by using a simplified model within the temperature range that is applicable to PWR. The model parameters for each property …
Published in Journal of Nuclear Engineering & Technology · Vol. 3, Issue 3, 2013 · pp. 12–17 Read article
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Structural, Electronic and Thermodynamical properties of 6-ethoxybenzo[d][1,3]oxathiol-2-one: A Theoretical Approach
Abstract: This paper has presented a complete theoretical study of 6-ethoxybenzo[d][1,3]oxathiol-2-one with the help of combination of DFT/B3LYP method and 6-311++G(d, p) basis set. Electronic properties have been calculated with the help of HOMO-LUMO plot. The reactivity of molecule using various descriptors such as, local softness, electrophilicity, electronegativity, hardness, HOMO-LUMO gaps are calculated and discussed. Keywords: DFT, HOMO, LUMO, MESP, electronic propertyCite this ArticleAnil Kumar. Structural, Electronic and Thermodynamical Properties of …
Published in Research & Reviews : Journal of Physics · Vol. 7, Issue 3, 2018 · pp. 1–3 Read article
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Property Estimation of Polymers: A Review
Abstract: AbstractPolymer production processes are facing the problems of optimization of production rate, increasing yield, waste minimization and environmental issues and product quality problems. These issues can be solved by designing efficient polymer manufacturing processes. Accurate properties of polymers are very important in designing efficient processes. Hundreds of property estimation methods are available for property estimation of polymers but the selection of the suitable property model is a challenging task. One …
Published in Journal of Polymer & Composites · Vol. 6, Issue 3, 2018 · pp. 14–24 Read article
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MODELING AND SIMULATION OF ESTERIFICATION PROCESS IN REACTIVE DISTILLATION COLUMN USING ASPEN PLUS
Abstract: Abstract: Reactive distillation is a process that combined a chemical reaction and physical separation in a single unit operation. A results is carrying out simulation by using Aspen plus, it is shown in reactive distillation column. In this case, reaction takes place in liquid phase. While solving this type of problem, we have to use thermodynamics property. The boiling point of water is low and iso-amyl acetate having high boiling …
Published in Emerging Trends in Chemical Engineering · Vol. 5, Issue 1, 2018 · pp. 5–9 Read article
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Crystallographic Studies on The Stability of Pharmaceutical Compound
Abstract: Crystallographic studies provide detailed insights into the molecular structure and intermolecular interactions within a crystal lattice, which are key determinants of a compound's stability. By analyzing crystal structures, researchers can identify potential polymorphs, solvates, and hydrates that may impact the physical and chemical stability of the drug. This knowledge helps in optimizing formulation strategies, predicting shelf life, and ensuring consistent drug performance. Advanced techniques like X-ray diffraction and neutron diffraction …
Published in International Journal of Crystalline Materials · Vol. 1, Issue 1, 2024 · pp. 38–42 Read article
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Thermodynamic design data of ammonia-sodium thiocyanate absorption heat pump systems simultaneous cooling and heating using ANN approach.
Abstract: The aim of this study is to train neural network which predict thermodynamic design data without involving role of thermodynamic properties, temperature concentration complex relationship and formula of coefficient of performance. Authors have presented values of weights and bias obtained from the trained ANN through which one can formulate mathematical equations for predicting thermodynamic design data. Authors have achieved coefficient of multiple determinations R2 as 0.99999, 0.99997 and 0.99953 for …
Published in Journal of Thermal Engineering and Applications · Vol. 1, Issue 1, 2014 · pp. 30–36 Read article
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Thermodynamic Design Data of NH3-LiNO3 Absorption Heat Pump Systems for Simultaneous Cooling and Heating using ANN Approach
Abstract: The aim of this study is to train neural network which predicts thermodynamic design data without involving role of thermodynamic properties, temperature concentration complex relationship and formula of coefficient of performance. Authors have presented values of weights and bias obtained from the trained ANN through which one can formulate mathematical equations for predicting thermodynamic design data. Authors have achieved coefficient of multiple determinations R2 as 1, 1, 0.99999 for solution …
Published in Journal of Refrigeration, Air conditioning, Heating and ventilation · Vol. 1, Issue 2, 2014 · pp. 7–13 Read article
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Molecular structure, Vibrational spectroscopic, HOMO, LUMO, NBO, and NLO studies of 4-Cyano-2-methoxybenzenesulfonyl chloride
Abstract: The vibrational spectroscopic studies of 4-Cyano-2-methoxybenzenesulfonyl Chloride (4C2MBSC) were carried out. 4C2MBSC and its derivatives present in many biologically active compounds. The spectroscopic properties and chemical significance in particular, sulfonyl chloride and its derivatives have been studied extensively by spectroscopic (FTIR spectra) and theoretical methods. The infrared spectrum of this compound was recorded in condensed states. The molecular geometry, highest occupied molecular orbital (HOMO), lowest unoccupied molecular orbital (LUMO), first …
Published in Journal of Modern Chemistry & Chemical Technology · Vol. 9, Issue 2, 2018 · pp. 8–18 Read article
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Ab Initio and Density Functional Theory Studies on D-Serine
Abstract: The Hartee-Fock and density functional method (B3LYP) with 6–311++G (d, p) basis set were employed to study the structural and spectroscopic properties of amino acid D-serine in ground state. The structural and vibrational parameters of amino acid D-serine were obtained using optimised conformer. Using Vibrational Energy Distribution Analysis (VEDA) 4 program and theoretically obtained FTIR and FT-Raman data complete assignment of vibrations and analysis of fundamental modes of the compound …
Published in Research & Reviews : Journal of Physics · Vol. 9, Issue 3, 2020 · pp. 29–45 Read article
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Esterification in Reactive Distillation Column Using Software Packages: A Review
Abstract: Abstract: Reactive distillation is the combination of reaction and separation in a same column. This represents an exciting alternative to traditional liquid phase chemical reaction processing. In reactive distillation, separation of products from unconverted reactants allows for better conversion, because produce elimination put out of place equilibrium and forces the reaction towards completion. The energy requirement of the conventional column is very and requires large recycling costs. Reactive Distillation is …
Published in Emerging Trends in Chemical Engineering · Vol. 5, Issue 1, 2018 · pp. 23–27 Read article
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Simulation of Nitric Acid Production
Abstract: Nitric acid has been known and esteemed for a long time. Most nitric acid is used in making ammonium nitrate. Its direct applications include photoengraving, metal pickling and passivation and the parting of gold and silver. Here the Oswald process is used to produce nitric acid. This process is simulated using HYSYS simulation software. The purpose of this simulation was to observe the thermodynamic properties of the process. We also …
Published in Emerging Trends in Chemical Engineering · Vol. 2, Issue 1, 2015 · pp. 43–48 Read article
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Excess Enthalpy of Mixing for Binary and Ternary System – A Review
Abstract: The thermodynamic properties of the mixtures containing hydrocarbon and ether are of significant attention in view of the fact that ethers are used as oxygenating agents in gasoline blending technology. Several oxygenated compounds are added to gasoline to enhance the octane number and to reduce air pollution. Excess enthalpy of mixing data of both binary and ternary system can be obtained by using various equipment and experimental procedures are reviewed. …
Published in Emerging Trends in Chemical Engineering · Vol. 1, Issue 1, 2014 · pp. 57–69 Read article
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An Exergetic based Assessment of Biogas as an Energy Source in a Hybrid Refrigeration System
Abstract: The analysis of biogas operated Ammonia-Water vapor compression absorption (hybrid) refrigeration system was carried out based on computational model being developed and the thermodynamic properties of working fluids have been used from the computer code. The variation of performance parameters such as exergy loss, COPCOOLING, COPHEATING and Exergy efficiency are studied with varying generator temperature, evaporator temperature, condenser and absorber temperature. The results indicate that maximum COP cooling as well …
Published in Journal of Refrigeration, Air conditioning, Heating and ventilation · Vol. 1, Issue 2, 2014 · pp. 31–40 Read article
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Energy and Exergy Analysis of Ammonia Water Operated Vapour Absorption Refrigeration System Using Artificial Neural Network Approach
Abstract: In this study, energy and exergy analysis have been performed of the ammonia-water operated vapour absorption refrigeration (VAR) system. Authors have trained artificial neural network (ANN) for predicting thermodynamic properties (specific enthalpy and specific entropy) of working fluid (ammonia-water). Authors have achieved coefficient of multiple determination (R2) value 0.9999 and the root mean square error (RMSE) value 0.00211 for input data set of saturated liquid and R2 value 0.999999 and …
Published in Journal of Refrigeration, Air conditioning, Heating and ventilation · Vol. 2, Issue 1, 2015 · pp. 7–20 Read article
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Recent Advances to Compare the Performance of Domestic Refrigerator Using New Eco-friendly Refrigerants
Abstract: This paper presents the performance comparison of new eco-friendly refrigerants in domestic refrigerator with respect to energy and exergetic analysis. To make an alternative arrangement of R12 or R134a, and for comparing the performance of new refrigerants some factors and technologies are important which is required to be considered likes their thermodynamics properties, GWP, ODP, energy and exergy analysis, TEWI analysis. In the ongoing work many experimental investigations were made …
Published in Journal of Refrigeration, Air conditioning, Heating and ventilation · Vol. 8, Issue 3, 2021 · pp. 18–29 Read article
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Thermal Engineering: Principles, Evolution, and Comparative Analysis with Classical Approaches
Abstract: Thermal engineering is the study of heat transfer, thermodynamics and energy conversion systems. However, through the years it has progressed from classical theories, which relied on empirical correlations, to enhanced computed and nanotechnology based approaches. This paper highlights the principles of thermal engineering, its important systems and latest developments of thermal engineering and provides extensive comparisons between the classical (traditional) methods and the most recent developments or innovations such as …
Published in International Journal of Mechanical Dynamics and Systems Analysis · Vol. 4, Issue 2, 2026 Read article
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Volumetric and Viscometric Studies of Molecular Interactions in Binary Mixtures of Butylamine and Iso-butylamine with 1-decanol at Different Temperatures
Abstract: Normal 0 false false false EN-US X-NONE X-NONE MicrosoftInternetExplorer4 The increasing use of alkylamine and alkanol in various chemical and industrial processes encouraged investigation on the thermodynamic and transporting properties of alkylamine, alkanol and their mixtures for obtaining extensive information. Excess molar volume (VE), deviation in viscosity (Dh) and excess Gibbs free energy of activation of viscous flow (G*E) have been calculated from measured densities and viscosities of pure butylamine …
Published in Journal of Modern Chemistry & Chemical Technology · Vol. 2, Issue 1, 2011 Read article
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Liquid Crystals as Novel Drug Carrier: A Review
Abstract: Liquid crystal is a thermodynamic stable phase characterized by anisotropic properties, generally lying in the temperature range between the solid and isotropic liquid phase, hence are termed mesophase. Based on the way that liquid crystals are obtained, they can be classified into two types—thermotropic liquid crystals and lyotropic liquid crystals. The thermotropic liquid crystal is generated by variation of temperature in the liquid state, while the lyotropic liquid crystal is …
Published in Trends in Drug Delivery · Vol. 2, Issue 1, 2015 · pp. 1–9 Read article
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Thermodynamic Analysis and Slow Pyrolysis Product Characterization are Used to Assess Rice Straw for Bio-char Production
Abstract: This work explores the viability of using slow pyrolysis to produce bio-char using rice straw as a feedstock. The objective is to characterize the resulting bio char and analyse the thermodynamic processes involved in its formation. Rice straw, an abundant agricultural residue, was subjected to slow pyrolysis under controlled conditions. The produced bio char was characterized using various analytical techniques, including scanning electron microscopy, elemental analysis, and surface area measurements. …
Published in Research & Reviews : Journal of Agricultural Science and Technology · Vol. 13, Issue 2, 2024 · pp. 26–29 Read article
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A Survey on Hydrogen Storage System using Composite Material and its Alloys
Abstract: The transition to a carbon-neutral energy landscape hinges on the ability to store hydrogen safely, densely, and reversibly. While high-pressure tanks and cryogenic vessels dominate today’s infrastructure, solid-state storage in metallic alloys offers a compelling alternative by combining high gravimetric capacity with intrinsic safety to form a composite material. This work presents a systematic investigation of a family of reversible hydrogen-absorbing composite material alloys—principally Mg-based intermetallics (Mg₂Ni, MgFeMn) and TiV-based …
Published in Nano Trends – A Journal of Nano Technology & Its Applications · Vol. 28, Issue 2, 2025 · pp. 35–42 Read article