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46 articles for “free energy change”
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Natural Bond Orbital, Bond Order and Frequency based Study of Hydrogen Bond Formation in Different Glycols-Water Complex
Abstract: Natural bond orbital (NBO) analysis, natural atomic orbital (NAO) analysis, Wiberg bond order, vibrational frequency, free energy and enthalpy changes for hydrogen bond formation in different polyethylene glycol + water complex and dipropylene glycol + water complex have been performed by Hatree Fock (HF) method, second order Møller–Plesset perturbation theory (MP2) and Density Functional Theory (DFT) using 6-31++G(d,p) basis set. In order to describe hydrogen bond interaction appropriately, B3LYP DFT-D, …
Published in Journal of Modern Chemistry & Chemical Technology · Vol. 4, Issue 1, 2013 · pp. 1–20 Read article
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Enzyme Stability Prediction using BERT and CNN-A Deep Learning Approach for Enhanced Biocatalysis
Abstract: An important factor in determining the efficacy of industrial enzymes used in various biotechnological applications is their stability. The goal of this study is to develop a predictive model for industrial enzyme stability, which is essential to the efficiency of these enzymes in biotechnological applications. The research takes a comprehensive strategy to comprehend the parameters affecting enzyme stability by combining statistical analysis, deep learning algorithms (BERT and CNN), and molecular …
Published in Research and Reviews : A Journal of Life Sciences · Vol. 14, Issue 2, 2024 · pp. 19–35 Read article
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Mechanism Action of Catalysis
Abstract: Catalysis is a method for speeding up the rate of a reaction. It is of three types homogeneous, biocatalysis and heterogeneous catalysis which further involve acid base catalysis, that is based on Brønsted-Lowry concept which state that any compound that can transfer a proton to any other compound is an acid, and the compound that accepts the proton is a base and in enzymatic catalysis every enzyme is specific to …
Published in Journal of Catalyst & Catalysis · Vol. 8, Issue 3, 2021 · pp. 22–28 Read article
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Design and Working of Solar Sprayer Pump for Agriculture
Abstract: The energy crisis fuel, resources depletion and, pollution these three are the major challenges in front of today’s world. The green energy generation from the existence resources is the new thought and which become possible by using non-conventional energy sources and one the option out of solar, wind and bio mass is Solar energy which can be easily converted in electricity using a new concept. Solar sprayer is a perfect …
Published in Journal of Industrial Safety Engineering · Vol. 7, Issue 2, 2020 · pp. 1–4 Read article
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The thermodynamic studies of 6-(4-chlorophenyl)-1, 2, 3, 4-tetrahydro-2,4-dioxopyrimidine-5-carbonitrile in 60% DMSO in the temperature range 298 to 313 K
Abstract: Densities and viscosities of 6-(4-chlorophenyl)-1, 2, 3, 4-tetrahydro-2,4-dioxopyrimidine-5-carbonitrile have been measured at different concentration in 60% dimethyl sulphoxide (DMSO) in the temperature range 298 to 313 K. The John-Dole equation was used to determine the viscosity. Gibb’s free energy (∆G), entropy change (∆S) and enthalpy change (∆H) were evaluated from relative viscosity . The negative sign of ∆G and ∆H and positive sign of ∆S indicates the spontaneity of reaction …
Published in Journal of Polymer & Composites · Vol. 8, Issue 2, 2020 · pp. 78–81 Read article
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Dodecahedron Methane Hydrate Cage Structure – An Ab initio Study
Abstract: Comparative study of 512clathrate hydrate cage having different numbers of methane guest molecules encapsulation is carried out by calculating interaction energy, encapsulation energy and thermo-chemical stability parameters using density functional theory-based calculation with B3LYP functional and 6-31G(d) basis set. Nuclear magnetic resonance spectroscopy(NMR), Infrared spectroscopy (IR spectroscopy) and Raman spectroscopy of empty and methane encapsulated 512clathrate hydrate cages, change in Gibbs free energy and methane hydrate formation enthalpy are predicted …
Published in Journal of Petroleum Engineering & Technology · Vol. 2, Issue 1-3, 2012 · pp. 51–64 Read article
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Nuclear Reactor Safety Using Seismic and Natural Disaster Protection: A Study
Abstract: Nuclear energy has enormous power and is essential to the global effort to provide clean, sustainable electricity, but it also carries a huge responsibility: guaranteeing its complete safety. Nuclear energy is at a turning point. Nuclear power provides a potent, carbon-free answer as the globe struggles with climate change and the pressing need to decarbonize energy grids. However, public fear, primarily from past mishaps like Chernobyl and Fukushima, continues to …
Published in Journal of Nuclear Engineering & Technology · Vol. 16, Issue 1, 2026 · pp. 25–34 Read article
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Calcareous Soil as a Promising Adsorbent to Remove Fluoride from Aqueous Solution: Equilibrium, Kinetic and Thermodynamic Study
Abstract: Normal 0 false false false EN-US X-NONE X-NONE MicrosoftInternetExplorer4 In this work, the feasibility of employing calcareous soil to remove fluoride ions from its aqueous solutions was investigated under batch mode. The influence of solution pH, sorbent dose, initial fluoride concentration, contact time, stirring rate and temperature on the removal process were investigated. The equilibrium adsorption data were analyzed using Langmuir, Freundlich and Temkin isotherm models. The kinetics of fluoride …
Published in Journal of Modern Chemistry & Chemical Technology · Vol. 3, Issue 3, 2012 · pp. 1–21 Read article
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Review of Carbohydrate Conversion Using of Catalytic Study
Abstract: Carbohydrates make up around 75% of yearly biomass resources, with cellulose as the most attractive due to its widespread access and, very significantly, the fact that it will not conflict with meals. To liberate the components of lignocellulosic material, it can be fractionated using thermochemical and physical processes, as well as biological and other biochemical methods. Components like Lignin, hemicellulose, and cellulose with cellulose making for almost near about 45 …
Published in Journal of Catalyst & Catalysis · Vol. 9, Issue 1, 2022 · pp. 35–39 Read article
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Boost Converter with Optimized Pi Controller Design for Grid Tied PV Based Electric Vehicle
Abstract: The growing demand of clean energy along with the depletion of fossil fuel usage have paved the way for electric vehicles (EV) to emerge as a significant alternative in automobile sector. Reduction of air pollution and reliance of fossil fuels thereby improving energy security are termed as the primary goals of EV. The adopting of EV facilitates emission free transportation and addresses the environmental crisis caused due to climatic changes …
Published in International Journal of Electrical Power and Machine Systems · Vol. 3, Issue 1, 2025 · pp. 1–16 Read article
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Corrosion and Corrosion Protection of Cast iron due to Bio-organism
Abstract: Cast iron is a high tensile strength metal. It is generally used for making tools, pipe fitting, electrical fitting equipment and rail track. It interacts with corrosive substances to develop electrochemical cell on their interface. Corrosive substances are acids, bases, salts, bio-wastes, particulates and pollutants. These substances produce hostile medium for materials. These harmful wastes discharge by industries, households, agricultural, urbanization, development of infrastructure, construction works, thermal power stations, hydropower, …
Published in Journal of Modern Chemistry & Chemical Technology · Vol. 16, Issue 2, 2025 · pp. 105–114 Read article
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Experimental Investigation on the Performance of Photovoltaic Panel with and Without Phase Change Material Heat Sink
Abstract: AbstractThe future of solar energy conversion into electricity is one of the recognized classes of technology seeing that abundance of a free and clean source of energy in almost every part of continents. The effect of exceeding in temperature on Photovoltaic (PV) cells remains one of the major disadvantages of this technology. In order to improve the power utilization of the PV panel, it is necessary to maintain cell temperature …
Published in Journal of Thermal Engineering and Applications · Vol. 7, Issue 2, 2020 · pp. 15–23 Read article
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A Study of Hyperfine Interactions of Peroxy Radicals in Irradiated PE Copolymer at Low Temperatures
Abstract: Hyperfine interactions occurring around the magnetic environment of peroxy radical are investigated by electron spin resonance (ESR) technique. For this purpose, ESR spectra are recorded in the temperature range of 77 to 300 K. ESR spectra at 77 K possess some hyperfine structure together with peroxy doublet; while at high temperatures only peroxy doublet is observed. Hyperfine parameters like g-values, peak to peak separation, spread are calculated and their temperature …
Published in Journal of Modern Chemistry & Chemical Technology · Vol. 8, Issue 2, 2017 · pp. 13–19 Read article
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The Safety of Dental X-ray Machine against the Deoxyribonucleic Acid (DNA): In Vitro Model Explores the Effects of Chlorine Free Radical, Duration of Exposure and the Doses of Irradiation
Abstract: Background: Patients attended to the dental clinics are referred to X-ray which may arise the possibility of adverse reactions upon oral mucosa. X-ray-induced oral mucosa damage is related to the generation of the free radicals in the aqueous media of the cells. Objectives: This study aimed to clarify the safety of dental X-ray exposure by utilizing an in vitro experimental model of calf-thymus double strands DNA (ctdsDNA) molecule exposed to …
Published in Research and Reviews: A Journal of Dentistry · Vol. 10, Issue 2, 2019 · pp. 23–28 Read article
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Temperature Variation and Energy Performance with or without PCM due to Introduction of Heat Loads
Abstract: Food transport and storage at low temperatures has always been an important matter worldwide and is becoming even more important due to dietary needs and population growth. The issue of improving food storage applies to food transportation in refrigerated vans and food storage in domestic refrigerators and freezers. In this paper, heat loads are introduced into a freezer and vegetable zone through short door openings (five door openings lasting 1 …
Published in Journal of Alternate Energy Sources & Technologies · Vol. 3, Issue 2, 2012 Read article
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Bladeless Offshore Wind Turbines
Abstract: The goal of this paper is to define the structural characteristics of a vertical single-blade wind turbine operating under oscillatory movement due to the wave motion and vibrational forces provided by the wind to the assembly. This new type of turbine can change the current landscape of wind energy. They can expand the generated self-consumption produced by wind energy, which is currently low, and take advantage of the free space …
Published in Journal of Offshore Structure and Technology · Vol. 10, Issue 2, 2023 · pp. 44–53 Read article
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Solar Stirling Power Generation
Abstract: We know the Sun is the natural and unlimited source of the energy which is available at free of cost. Solar Stirling plant is a far more effective and efficient means of producing electrical energy. This technology is recent addition to renewable energy technique. It brings the massive change in the way we use the Solar energy. It Includes Stirling Engine which was invented by Robert Stirling in 1816. Stirling …
Published in Journal of Refrigeration, Air conditioning, Heating and ventilation · Vol. 7, Issue 3, 2020 · pp. 18–21 Read article
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Development of an Energy Free Refrigerator Using LPG as Refrigerant
Abstract: Supply of constant power is as yet not accessible in a few zones of the nation and the residential refrigerator devouring greater power. In this paper, a minimal effort cooler is created utilizing LPG as refrigerant. LPG is put away in barrel at high weight. As this pressurized LPG is gone through the slim container of little inner distance across, the weight of LPG is diminished because of development and …
Published in Journal of Refrigeration, Air conditioning, Heating and ventilation · Vol. 6, Issue 2, 2019 · pp. 22–26 Read article
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Design and Experimental Validation of An Electromagnetic-Based Low-Cost Lightweight Polymer Fabricated Induction Stove
Abstract: Induction stoves are an innovative and energy-saving alternative to traditional gas or electric stoves. Traditional induction stoves, many of which are expensive, heavy, and bulky, require modifications to make them suitable for low-income households and small consumers. This work is unique in that it involves the design and validation of a low-cost, lightweight induction stove. With fewer components, this stove is a feasible and sustainable solution for high temperatures. The …
Published in Journal of Polymer & Composites · Vol. 13, Issue 1, 2025 · pp. 261–274 Read article
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Factors to Increase the Efficiency of Solar Panel: A Review
Abstract: Abstract This paper represents a review on the factors which affect the efficiency of solar panels as a challenge for the modern technology. The limitations of fossil resources and enormous increasing demand for energy have directed our ways to focus our minds towards solar energy, as it is freely available ample source of sunlight to us which can be effectively used for converting it into electricity and enlighten those areas …
Published in Journal of Energy, Environment & Carbon Credits · Vol. 9, Issue 1, 2019 · pp. 13–21 Read article