Academic literature on the topic 'Thermodynamic activation parameters'

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Journal articles on the topic "Thermodynamic activation parameters"

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K. R. Patel, K. R. Patel, Dhara Patel, and Ashish patel. "Study of Activation Energy and Thermodynamic Parameters from TGA of Some Synthesized Metal Complexes." Indian Journal of Applied Research 3, no. 4 (2011): 410–12. http://dx.doi.org/10.15373/2249555x/apr2013/135.

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Vyazovkin, Sergey. "Misinterpretation of Thermodynamic Parameters Evaluated from Activation Energy and Preexponential Factor Determined in Thermal Analysis Experiments." Thermo 4, no. 3 (2024): 373–81. http://dx.doi.org/10.3390/thermo4030019.

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Thermogravimetry (TGA) and differential scanning calorimetry (DSC) are used broadly to study the kinetics of thermally stimulated processes such as thermal decomposition (pyrolysis) or thermal polymerization. These studies typically yield the activation energy (E) and preexponential factor (A). The resulting experimental values of E and A are oftentimes used to determine the so-called “thermodynamic parameters”, i.e., the enthalpy, entropy, and Gibbs free energy. Attention is called to the persistent and mistaken trend to interpret the resulting quantities as the thermodynamic parameters of th
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Zhou, Chenxi, Bin Yang, Wenliang Fan, and Wei Li. "Brain Model Based on the Canonical Ensemble with Functional MRI: A Thermodynamic Exploration of the Neural System." Complexity 2021 (December 21, 2021): 1–12. http://dx.doi.org/10.1155/2021/9961864.

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Objective. System modeling is an important method to study the working mechanisms of the brain. This study attempted to build a model of the brain from the perspective of thermodynamics at the system level, which brought a new perspective to brain modeling. Approach. Regarding brain regions as systems, voxels as particles, and intensity of signals as energy of particles, the thermodynamic model of the brain was built based on the canonical ensemble theory. Two pairs of activated regions and two pairs of inactivated brain regions were selected for comparison in this study, and the thermodynamic
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Naeem, Kashif, Pan Weiqian, and Feng Ouyang. "Thermodynamic parameters of activation for photodegradation of phenolics." Chemical Engineering Journal 156, no. 2 (2010): 505–9. http://dx.doi.org/10.1016/j.cej.2009.10.026.

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Huang, Zai-Yin, Xing-Xing Li, Zuo-Jiao Liu, Liang-Ming He, and Xue-Cai Tan. "Morphology Effect on the Kinetic Parameters and Surface Thermodynamic Properties of Ag3PO4Micro-/Nanocrystals." Journal of Nanomaterials 2015 (2015): 1–9. http://dx.doi.org/10.1155/2015/743121.

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Considerable effort has been exerted using theoretical calculations to determine solid surface energies. Nanomaterials with high surface energy depending on morphology and size exhibit enhanced reactivity. Thus, investigating the effects of morphology, size, and nanostructure on the surface energies and kinetics of nanomaterials is important. This study determined the surface energies of silver phosphate (Ag3PO4) micro-/nanocrystals and their kinetic parameters when reacting with HNO3by using microcalorimetry. This study also discussed rationally combined thermochemical cycle, transition state
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Chen, J. P., A. Hazra, and Z. Levin. "Parameterizing ice nucleation rates using contact angle and activation energy derived from laboratory data." Atmospheric Chemistry and Physics 8, no. 24 (2008): 7431–49. http://dx.doi.org/10.5194/acp-8-7431-2008.

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Abstract. The rate of ice nucleation in clouds is not easily determined and large discrepancies exist between model predictions and actual ice crystal concentration measured in clouds. In an effort to improve the parameterization of ice nucleating in cloud models, we investigate the rate of heterogeneous ice nucleation under specific ambient conditions by knowing the sizes as well as two thermodynamic parameters of the ice nuclei – contact angle and activation energy. Laboratory data of freezing and deposition nucleation modes were analyzed to derive inversely the two thermodynamic parameters
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Gandova, Vanya, and Ivalina Petrova. "Black chokeberry (Aronia melanocarpa) copigmentation reaction: Thermodynamic and kinetic investigations." BIO Web of Conferences 122 (2024): 01001. http://dx.doi.org/10.1051/bioconf/202412201001.

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Two type of parameters (thermodynamics and kinetics) were used to determine thermal stability of copigmentation process in black chokeberry: chlorogenic acid system. According to thermodynamic investigations copigmentation complex was destroyed at high temperature and restored again at low temperature. Different parameters kinetic rate constant, energy of activation and z-factor were presented and the reaction Based on them the order of the reaction was determined as first order.
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Saha, Tapan K., Subarna Karmaker, and Md F. Alam. "Kinetics, mechanism and thermodynamics involved in sorption of meso-tetrakis(4-sulfonatophenyl)porphyrin onto chitosan in aqueous medium." Journal of Porphyrins and Phthalocyanines 18, no. 03 (2014): 240–50. http://dx.doi.org/10.1142/s1088424613501174.

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Sorption of meso-tetrakis(4-sulfonatophenyl)porphyrin ( H 2 tpps ) onto chitosan has been investigated in aqueous medium. Kinetic and isotherm studies were carried out by considering the effects of various parameters, such as pH, initial concentration of H 2 tpps solution, and temperature. The kinetic data obtained from different batch experiments were analyzed using pseudo first-, second-order, intraparticle, and film diffusion kinetic models. The equilibrium sorption data was analyzed by using Tempkin, Langmuir and Freundlich models. The best results were achieved with the pseudo second-orde
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O., P. BANSAL, and K. CHATURVEDI A. "Kinetics of Benalate Adsorption on Kaolinites." Journal of Indian Chemical Society Vol. 69, Mar 1992 (1992): 132–35. https://doi.org/10.5281/zenodo.5992530.

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Chemistry Department, D. S. College, Aligarh-202 001 <em>Manuscript received 5 October 1989, revised 25 February 1992, accepted 13 March 1992</em> Kinetics of benalate adsorption of H-, Na- and Ca-saturated kaolinites have been<em> </em>investigated. The adsorption and desorp&shy;tion rate constants obtained were in agreement with those obtained from the Lindstrom <em>et &alpha;l. </em>model, which proved useful in the simultaneous evaluation of adsorption and desorption rate constants. The activation energies, heats of activation and entropies of activation along with thermodynamic parameters
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Emeniru, Daniel C., John Neminebor, Justin Ikirigo, and Franklin Sogbara. "Perspective View on Sorption Thermodynamics: Basic Dye Uptake on Southern Nigerian Clay." European Scientific Journal, ESJ 13, no. 18 (2017): 355. http://dx.doi.org/10.19044/esj.2017.v13n18p355.

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Macroscopic phenomenon like adsorption has a mechanistic tie typical of thermodynamics and its principles. This work examined the thermodynamic parameters for methylene blue (MB) uptake onto modified Ekowe clay (EC). The purified clay was calcined for 4hrs. at 750 oC to obtain Natural Ekowe Clay (NEC). The purified clay was activated (1.6M H2SO4 (aq)) and calcined for 4hrs. at 750 oC obtaining Activated Ekowe Clay (AEC). Thermodynamic study applied the equilibrium data in determining the activation and heats of adsorption parameters. The concave Eyring plot suggests more than one rate-limiting
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Dissertations / Theses on the topic "Thermodynamic activation parameters"

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Afolaju, Wasiu ALOWONLE Mr, and SCOTT Dr Dane. "Hydrolysis of Acetic Anhydride in Water/Tetrahydrofuran Co-solvent Systems Using Eyring Activation Energy Analysis." Digital Commons @ East Tennessee State University, 2019. https://dc.etsu.edu/asrf/2019/schedule/52.

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This study determines the activation energy parameters for the hydrolysis of acetic anhydride in water/tetrahydrofuran solutions. These values are needed for studies to quantify the effect of the bulk electrostatic environment solvent-solute interactions on the hydrolysis reaction rate. Hydrolysis of an acetic anhydride with water or under basic conditions yields acetic acid. The current study is based on simple hydrolysis of acetic anhydride which produces acetic acid decreasing the pH over time. Simple hydrolysis is monitored by measuring pH versus time at temperatures ranging from 20.0 to 3
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Rouveirolles, Pierre. "Etude de la cinetique en phase gazeuse de reactions du radical nh2 a haute temperature." Orléans, 1987. http://www.theses.fr/1987ORLE2019.

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Reactions du radical nh::(2) avec des alcanes, h::(2) et h::(2)o. Les reactions etudiees jouent un role important dans la modelisation des processus de combustion ou de post-combustion des hydrocarbure et dans la connaissance du mecanisme reactionnel gouvernant le traitement par injection d'ammoniac des oxydes d'azote contenus dans les gaz d'echappement des machines thermiques
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Wang, Dan Li. "Reaction des metalloporphyrines reduites avec les monohalogenoalcanes et les dihalogenoalcanes vicinaux." Paris 7, 1988. http://www.theses.fr/1988PA077166.

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Book chapters on the topic "Thermodynamic activation parameters"

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Kumar Mandal, Harasit. "Effect of Microheterogeneous Environments on Reaction Rate: Theoretical Explanation through Different Models." In Surfactants - Fundamental Concepts and Emerging Perspectives [Working Title]. IntechOpen, 2023. http://dx.doi.org/10.5772/intechopen.112532.

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Microheterogeneous systems (typically micelles and reverse micelle systems) refer to aggregate systems in which different structural shapes are formed by amphiphiles in water or other similar media. Amphiphilic molecules undergo a self-assembly process known as micellization through hydrophobic or H-bonding interactions. The Microenvironment consisting surfactants changes the physicochemical behavior of the system and can catalyze or inhibit reaction rates. In addition, thermodynamic parameters such as standard enthalpy of activation, standard entropy of activation, energy of activation etc. m
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Ouakki, Moussa, Mouhsine Galai, Mohammed Cherkaoui, Mohamed Ebn Touhami, E. H. Rifi, and Z. Hatim. "Corrosion Inhibition Study of Mild Steel in the Acidic Mediums Containing a Mineral Compound-Based Phosphate." In New Challenges and Industrial Applications for Corrosion Prevention and Control. IGI Global, 2020. http://dx.doi.org/10.4018/978-1-7998-2775-7.ch008.

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The corrosion inhibition of mild steel in hydrochloric, sulfuric, and phosphoric acids solutions containing a mineral compound-based phosphate (apatite) was evaluated by potentiodynamic polarization and electrochemical impedance spectroscopy. Potentio-dynamic polarization measurements reveal that the inhibition efficiency increased with the concentration of the apatite, which appears to be a cathodic type inhibitor in the three mediums. Electrochemical impedance spectroscopy confirms this result; indeed, the transfer resistance increases with apatite concentration. The authors note that the do
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Conference papers on the topic "Thermodynamic activation parameters"

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Vijayalakshmi, P. R., and R. Rajalakshmi. "Inhibition of Mild Steel Corrosion Using Aqueous Extract of COcos Nucifera L. Peduncle in Acidic Solutions and Their Adsorption Characteristics." In CORROSION 2013. NACE International, 2013. https://doi.org/10.5006/c2013-02303.

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Abstract Cocos nucifera L. peduncle (CNP) extract, obtained from destructive distillation, as a possible source of green inhibitor, for the corrosion of mild steel in 1 M HCl was evaluated using mass loss method, potentiodynamic polarization technique, and electrochemical impedance spectroscopy (EIS). The inhibition efficiency was found to change with variation in concentration of the inhibitor, time of immersion, and temperature. The adsorption of the inhibitor molecule onto the metal surface was found to obey El-Awady kinetic thermodynamic and Frumkin adsorption isotherm. The activation ener
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Leelavathi, S., and R. Rajalakshmi. "Mundulea Sericea Leaves as a Corrosion Inhibitor for Mild Steel in Acidic Solution." In CORROSION 2013. NACE International, 2013. https://doi.org/10.5006/c2013-02187.

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Abstract The inhibition effect of Mundulea sericea leaf extract (MSLE) on the corrosion of mild steel in 1.0 M HCl and 0.5 M H2SO4 solution was investigated for the first time by mass loss, linear polarization resistance (LPR), potentiodynamic polarization, electrochemical impedance spectroscopy (EIS) and scanning electron microscopy (SEM) methods. These studies were carried out at different concentrations, temperatures and durations. The results show that Mundulea sericea is a very potent inhibitor, and is more efficient in 1.0 M HCl than 0.5 M H2SO4. The adsorption of Mundulea sericea on mil
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Rapp, Robert A. "Pack Cementation Diffusion Coatings of Steels for Fossil Fuel Environments." In CORROSION 1989. NACE International, 1989. https://doi.org/10.5006/c1989-89532.

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Abstract Thermodynamic calculations of the equilibrium vapor pressures for the volatile species in halide-activated cementation packs intended to codeposit chromium and aluminum in Fe-base substrates have been made using a computer- assisted SOLGASMIX program. The calculations serve to identify the proper pairs of Cr-Al binary masteralloy composition and halide activator salt to balance the arrival fluxes of Cr- and Al-halide species to the substrate surface such that specific surface compositions can be achieved. Examples of such calculations are presented along with experimental testing of t
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Berrada, Marwane S., and John C. Bischof. "A Determination of Biophysical Parameters Related to Freezing of an ELT-3 Cell Line." In ASME 2000 International Mechanical Engineering Congress and Exposition. American Society of Mechanical Engineers, 2000. http://dx.doi.org/10.1115/imece2000-2219.

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Abstract This study investigates two destructive biophysical mechanisms during freezing (extensive dehydration and intracellular ice formation) at the cellular level in the rodent ELT-3 uterine fibroid cell-line. The osmotically inactive volume fraction (Vb) of ELT-3 cells was approximated to 0.35 of the initial isotonic cell volume (Vo). The water transport characteristics of this cell-line are such that ELT-3 cells are highly permeable with a strong ability to lose water even at low subzero temperatures. The hydraulic reference permeability, Lpg and activation energy, Elp associated with Lp
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Pirrone, Marco, Giuseppe Galli, and Roberta Marino. "Multiphase Flow Rate Profiling With Uncertainty Through Distributed Temperature Sensing and Pulsed Neutron Oxygen Activation Modeling in Complex Wells." In 2022 SPWLA 63rd Annual Symposium. Society of Petrophysicists and Well Log Analysts, 2022. http://dx.doi.org/10.30632/spwla-2022-0015.

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Downhole fluid profiling is generally achieved by means of standard Production Logging (PL) strings, including pressure, temperature, holdup and spinner probes. This is no longer a viable option in case of asphaltenes, waxes and/or solids depositions during production that prevent any reliable mechanical measurements. In this respect, Distributed Temperature Sensing (DTS) and pulsed neutron Oxygen Activation (OA) logging represent valid techniques to describing the dynamics of such complex cases. This paper details an integrated modeling of DTS and OA data aimed at multiphase production profil
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Schofield, Keith. "A New Method to Control High Temperature Corrosion in Gas Turbines Resulting From Alkali Sulfates." In ASME Turbo Expo 2003, collocated with the 2003 International Joint Power Generation Conference. ASMEDC, 2003. http://dx.doi.org/10.1115/gt2003-38782.

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A quantitative program has been completed concerning the detailed chemistry of alkali sulfate deposition onto surfaces immersed in hot flame gases. It has been irrefutably proven that the process is heterogeneous. It is the surface and the alkali that are the predominant controlling features. It is insensitive to the sulfur or any of the flame parameters. The nature of the surface is not important and it uses the flame gases solely as a source of ingredients. Alkali speciation in the flame gases is irrelevant. The chemistry is rapid and shows no activation energy. Formation of sulfate appears
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Satoh, Akira. "Application of the Multi-Particle Collision Dynamics Method to a Suspension of Magnetic Spherical Particles." In ASME 2017 International Mechanical Engineering Congress and Exposition. American Society of Mechanical Engineers, 2017. http://dx.doi.org/10.1115/imece2017-71184.

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In order to apply the multi-particle collision dynamics (MPCD) method to a magnetic particle suspension, we have elucidated the dependence of the translational and rotational Brownian motion of magnetic particles on the MPCD parameters that characterize the MPCD simulation method. We here consider a two-dimensional system composed of magnetic spherical particles in thermodynamic equilibrium. The diffuse reflection model has been employed for treating the interactions between fluid and magnetic particles. In the diffuse reflection model, the interactions between fluid and magnetic particles are
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Zabihian, Farshid, Alan S. Fung, Murat Koksal, Shakil Malek, and Moftah Elhebshi. "Sensitivity Analysis of a SOFC-GT Based Power Cycle." In ASME 2008 6th International Conference on Fuel Cell Science, Engineering and Technology. ASMEDC, 2008. http://dx.doi.org/10.1115/fuelcell2008-65147.

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This paper presents the sensitivity analysis of tubular Solid Oxide Fuel Cell (SOFC) stacks. The macro level modelling implemented in AspenPlus™ for the simulation of hybrid SOFC-gas turbine systems. The macro level thermodynamic first law analysis was previously performed on the same model. This sensitivity analysis is the continuation towards investigating the effects of different fuel compositions and turbine and compressor efficiencies on cycle efficiency and other parameters. The model is 0-dimensional, can accept hydrocarbon fuels with user inputs of current density, fuel and air composi
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Zavisca, M. J., M. Khatib-Rahbar, H. Esmaili, and R. Schulz. "ADAM: An Accident Diagnostic, Analysis and Management System — Applications to Severe Accident Simulation and Management." In 10th International Conference on Nuclear Engineering. ASMEDC, 2002. http://dx.doi.org/10.1115/icone10-22195.

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The Accident Diagnostic, Analysis and Management (ADAM) computer code has been developed as a tool for on-line applications to accident diagnostics, simulation, management and training. ADAM’s severe accident simulation capabilities incorporate a balance of mechanistic, phenomenologically based models with simple parametric approaches for elements including (but not limited to) thermal hydraulics; heat transfer; fuel heatup, meltdown, and relocation; fission product release and transport; combustible gas generation and combustion; and core-concrete interaction. The overall model is defined by
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Zheng, Liyou, Hongyan Guo, Jun Jin, and Qingzhe Jin. "Consistent Units Are Required When Using the Activated Complex Theory in Oil Evaluation Process." In 2022 AOCS Annual Meeting & Expo. American Oil Chemists' Society (AOCS), 2022. http://dx.doi.org/10.21748/mjjy6873.

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Activated complex theory (ACT) has been applying as an effective tool to connect the kinetics (reaction rate constant, k) and thermodynamics parameters (including standard enthalpy of activation, ΔH++; standard entropy of activation, ΔS++; standard Gibbs free energy of activation, ΔG++) especially when evaluating lipid oxidation. The unit of the Planck’s constant (hP) in ACT is Jžs, in which the time unit is the second (s). The failure to correctly cancel the time units could have a significant impact on the predicted standard entropy of activation. Considering there were some improper calcula
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