Download or read book Molecular Dynamics Simulations and Flow Injection Studies of Hydrothermal Fluids written by and published by . This book was released on 2003 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: Hydrothermal fluids near and above the critical point of water have unique and potentially very useful thermophysical properties. At present, the lack of knowledge of supercritical water chemistry hinders implementation of innovative hydrothermal technologies. The development of new experimental methods and application of molecular modeling tools is clearly warranted to provide a better understanding of the complex properties of aqueous systems at elevated temperatures and pressures. The thermodynamic, dielectric and transport properties of hydrothermal fluids are investigated using Molecular Dynamics (MD) simulation and flow injection techniques. The spatial hydration structures and self-diffusion coefficients of phenol, aniline and naphthalene in aqueous infinitely dilute solution are examined from ambient to supercritical conditions by means of MD simulations. It is shown that the solvation shell around aromatic molecules undergoes significant changes along the liquid-vapour coexistence curve and, essentially, disappears at supercritical conditions. The changes in hydration structures are reflected in the values of the self-diffusion coefficients which dramatically increase near the critical point of water. The thermodynamic and dielectric properties of the Simple Point Charge Extended (SPC/E) water model are examined over a broad range of sub- and supercritical states. Accurate thermodynamic and dielectric equations of state (EOS) for the SPC/E water model are presented. The parameterizations provide the most accurate, up-to-date description of the properties of high-temperature SPC/E water, thus enabling for the direct comparison of molecular simulation results with experimental data via the corresponding states principle. The experimental methodology for the study of aqueous fluids at extreme conditions by using the ex situ flow injection technique is presented. The methodology significantly simplifies the technical aspects of flow injection analysis in hydrot.
Download or read book Molecular Simulation of Fluids written by Richard J. Sadus and published by Elsevier. This book was released on 2002-05-17 with total page 644 pages. Available in PDF, EPUB and Kindle. Book excerpt: The aim of this book is to examine some of the important aspects of recent progress in the use of molecular simulation for investigating fluids. It encompasses both Monte Carlo and molecular dynamic techniques providing details of theory, algorithms and implementation.
Download or read book Molecular Simulation Studies on Thermophysical Properties written by Gabriele Raabe and published by Springer. This book was released on 2017-02-17 with total page 324 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book discusses the fundamentals of molecular simulation, starting with the basics of statistical mechanics and providing introductions to Monte Carlo and molecular dynamics simulation techniques. It also offers an overview of force-field models for molecular simulations and their parameterization, with a discussion of specific aspects. The book then summarizes the available know-how for analyzing molecular simulation outputs to derive information on thermophysical and structural properties. Both the force-field modeling and the analysis of simulation outputs are illustrated by various examples. Simulation studies on recently introduced HFO compounds as working fluids for different technical applications demonstrate the value of molecular simulations in providing predictions for poorly understood compounds and gaining a molecular-level understanding of their properties. This book will prove a valuable resource to researchers and students alike.
Download or read book Molecular Dynamics and Continuum Simulations of Fluid Flows with Slip Boundary Conditions written by Anoosheh Niavaranikheiri and published by . This book was released on 2011 with total page 155 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Scientific and Technical Aerospace Reports written by and published by . This book was released on 1995 with total page 602 pages. Available in PDF, EPUB and Kindle. Book excerpt: Lists citations with abstracts for aerospace related reports obtained from world wide sources and announces documents that have recently been entered into the NASA Scientific and Technical Information Database.
Download or read book Molecular Dynamics Simulation of Fluid Systems written by Mingqiu Sun and published by . This book was released on 1994 with total page 278 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Pressure Gradients in Molecular Dynamics Simulations of Nano confined Fluid Flow written by Mohamed Tarek Elewa Hassan and published by . This book was released on 2023* with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Energy Research Abstracts written by and published by . This book was released on 1994 with total page 806 pages. Available in PDF, EPUB and Kindle. Book excerpt: Semiannual, with semiannual and annual indexes. References to all scientific and technical literature coming from DOE, its laboratories, energy centers, and contractors. Includes all works deriving from DOE, other related government-sponsored information, and foreign nonnuclear information. Arranged under 39 categories, e.g., Biomedical sciences, basic studies; Biomedical sciences, applied studies; Health and safety; and Fusion energy. Entry gives bibliographical information and abstract. Corporate, author, subject, report number indexes.
Download or read book Experimental and Molecular Dynamics Simulation Studies of Liquid Mutual Diffusion Coefficients written by Johnnie M. Stoker and published by . This book was released on 1989 with total page 428 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Molecular Dynamics Simulation of Nanochannel Flows written by Chong Liu and published by . This book was released on 2011 with total page 104 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Molecular Dynamics Simulation of Supercritical Fluids written by Richard D. Branam and published by . This book was released on 2005 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Molecular Dynamics Studies of Transport Properties of Super critical Fluids written by Obika C. Nwobi and published by . This book was released on 1997 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Improvement of the Predictive Power of Molecular Dynamics Simulations for the Determination of Transport Properties Demonstrated for Selected Fluid Systems written by Ubaya Ashandika Higgoda and published by . This book was released on 2020 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Fluid Injection in Deformable Geological Formations written by Benjamin Loret and published by Springer. This book was released on 2018-10-06 with total page 758 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book offers an introduction to the geomechanical issues raised by both the extraction of actual and potential energy resources, and by the treatment of the ensuing environmental concerns. Discussions of the operations of injection of fluids into, and withdrawal from, geological formations link the chapters, each devoted to a particular technical aspect or scientific issue, or to a particular energy resource. Subjects are ordered according to their industrial applications, including enhanced oil and gas recovery, gas hydrates, enhanced geothermal systems, hydraulic fracturing, and carbon dioxide sequestration. An overview of the industrial, research and simulation aspects for each subject is provided. Fluid Injection in Deformable Geological Formations will be of interest to academic and industrial researchers in a wide variety of fields, including computational mechanics, civil engineering, geotechnical engineering and geomechanics, engineering seismology, petroleum engineering, reservoir engineering, and engineering geology.
Download or read book Molecular Dynamics Studies of Simple Model Fluids and Water Confined in Carbon Nanotube written by Jun Wang and published by . This book was released on 2010 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Nano scale Computational Fluid Dynamics with Molecular Dynamics Pre simulations written by David M. Holland and published by . This book was released on 2015 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Molecular dynamics simulation in arbitrary geometries for nanoscale fluid mechanics written by Graham Bruce Macpherson and published by . This book was released on 2008 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt:
