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Thermodynamic Simulation of Thermal Processes Involving Actinides (U, Am, Pu) during Heating of Radioactive Graphite in a Mixture of Water Vapor and Oxygen
AbstractThe behavior of uranium, americium, and plutonium compounds contained in radioactive graphite during its heating in a mixture of water vapor...
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Thermodynamic Study of Assembling ↔ Disassembling of Microtubules via the Monte Carlo Simulation
AbstractMicrotubules are demonstrated as straight macromolecules including the linear chains of tubulin subunits in the length. It’s important to...
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Coupling thermodynamic simulation and thermal analysis to select Sn–Bi alloys for semisolid additive manufacturing
AbstractOne of the most used additive manufacturing (AM) techniques is fused filament fabrication (FFF), which is primarily used for processing...
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Analysis of Gaseous Hydrogen Refueling Process to Develop Thermodynamic Model
Hydrogen is an energy source that is expected to play a major role in energy transition policies that replace fossil fuels. Currently, the main...
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A Simulation and Thermodynamic Improvement of Methanol Production Process with Economic Analysis: Natural Gas Vapor Reforming and Utilization of Carbon Capture
AbstractPower plant gases are a source of carbon dioxide emissions that can be converted by thermo-chemical as an opportunity to produce chemical...
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Thermodynamic model: steam and oxidative reforming of methane over nickel catalyst
In this paper, we have used a thermodynamic model for the first time to investigate the steam and oxidative reforming of methane over a nickel...
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Thermodynamic Analysis of Aluminum Oxide Chlorination
AbstractA thermodynamic analysis of the chlorination of aluminum oxide was performed for the main possible reactions of interaction with chlorine....
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A Thermodynamic Perspective on Polymer Glass Formation
The dynamics of polymeric and other glass-forming liquids dramatically slows down upon cooling toward the glass transition temperature without any...
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Volumetric and Thermodynamic Studies on Urea–Water System
Urea, as a nonelectrolyte molecular solute in aqueous solutions, has a vital role in the thermodynamic, thermophysical and physiochemical studies. To...
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Comprehensive review on physical properties of supercritical carbon dioxide calculated by molecular simulation
The applications of molecular simulation in supercritical carbon dioxide (S-CO 2 ) and its mixtures are reviewed. First, an overview of physical...
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Insights into dry reforming of methane over nickel catalyst using a thermodynamic model
A thermodynamic model is developed using a one-dimensional model, LOGEcat to understand the dry reforming of methane over nickel-based catalysts. To...
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Comparison of Databases on Thermodynamic Properties of Individual Substances
AbstractThe modern databases on the thermodynamic properties of individual substances were reviewed to determine applicability of databases for...
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Consistent Calculation from Particle Composition to Arc Simulation for Arc Ignition Process in Polymer Ablated Arcs
The paper deals with the numerical simulation on polymer ablation phenomena during electric arc ignition process. The calculations from particle...
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Current State of the Problem of Adhesive Interaction Estimation Using Thermodynamic Characteristics
AbstractWe present a review and analysis of publications focused on the scientific prediction of adhesive interaction using the thermodynamic...
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Simulation of Charged Colloids in Solution
Physicochemical properties of solutions of charged colloids are often dominated by the electrostatic interactions present in such systems. A full...
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Comprehensive Analytical Sorption Thermodynamic (CAST) model for water vapor sorption in cellulosic materials
Water vapor sorption is a fundamental property of cellulosic materials. Numerous theoretical and empirical models have been developed to describe the...
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Determination with data mining approach of thermodynamic properties of R471A as new HFO refrigerant
The use of refrigerants used in most refrigeration systems in use today has been or will be banned soon. Therefore, it is extremely important to...
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Investigation on in-cylinder and in-intercooler thermodynamic properties of miniature multi-stage reciprocating compressor with insufficient inter-stage volumes
Miniature multi-stage reciprocating compressor is the core component in the on-board continuous high-pressure gas supply system. Intercoolers play an...
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Properties of an explicit, thermodynamic consistent model as intermediate between extended Langmuir and IAST mixture adsorption models
The extended Langmuir (EL) model remains a popular tool within the adsorption community to describe mixture adsorption. Nevertheless, its...
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History and Perspectives of Atomistic Simulation of Polysaccharides
AbstractThe history and prospects for the development of interatomic interaction potentials for the simulation of molecular systems and, in...
