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Modeling And Simulation Of Solid Liquid Equilibrium By Perturbed Chain Statistical Associating Fluid Theory
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Book Synopsis Modeling and Simulation of Solid-Liquid Equilibrium by Perturbed-Chain Statistical Associating Fluid Theory by :
Download or read book Modeling and Simulation of Solid-Liquid Equilibrium by Perturbed-Chain Statistical Associating Fluid Theory written by and published by . This book was released on with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: Solubility of polyethylene in mixed xylene was determined experimentally at atmospheric pressure by an indigenously developed laser based technique. In this work, PC-SAFT equation of state was used to model solid-liquid equilibrium (SLE). With the experimental SLE data available in literature for low molecular weight n-alkanes and aromatic compounds both at atmospheric and elevated pressure, the suitability of the developed SLE model based on PC-SAFT equation of state was tested. Subsequently a sensitivity study was performed to understand the effects of different parameters that affect the solubility of polyethylene. The validated model was then used to correlate the experimentally determined solubility data for polyethylene system.
Book Synopsis Modeling of Solid-Liquid Equilibrium by : Sunil Maity
Download or read book Modeling of Solid-Liquid Equilibrium written by Sunil Maity and published by LAP Lambert Academic Publishing. This book was released on 2009-10 with total page 88 pages. Available in PDF, EPUB and Kindle. Book excerpt: The knowledge of solid-liquid equilibrium (SLE) and availability of a validated computer based model is of great technical interest for developing and designing separation processes, such as crystallization and fractionation and solving industrial problems. The latest version of Statistical Associating Fluid Theory (SAFT), Perturbed Chain-SAFT (PC-SAFT), is very much successful for highly non-ideal macro-molecular weight system such as polymers. With the experimental SLE data available in literature for low molecular weight n-alkanes and aromatic compounds both at atmospheric and elevated pressure, the suitability of the developed SLE model based on PC-SAFT was tested. Subsequently sensitivity study was performed for polyethylene. The solubility of two different grade of polyethylene in mixed xylene was then determined using indigenously developed laser based technique. The viscosity average molecular weight, specific gravity, and melting point of the polyethylene samples were determined using standard technique. The validated model was then used to correlate the experimentally determined solubility of polyethylene in xylene.
Book Synopsis Perturbation Theories for the Thermodynamic Properties of Fluids and Solids by : J. R. Solana
Download or read book Perturbation Theories for the Thermodynamic Properties of Fluids and Solids written by J. R. Solana and published by CRC Press. This book was released on 2013-03-22 with total page 408 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book, Perturbation Theories for the Thermodynamic Properties of Fluids and Solids, provides a comprehensive review of current perturbation theories—as well as integral equation theories and density functional theories—for the equilibrium thermodynamic and structural properties of classical systems. Emphasizing practical applications, the text avoids complex theoretical derivations as much as possible. It begins with discussions of the nature of intermolecular forces and simple potential models. The book also presents a summary of statistical mechanics concepts and formulae. In addition, it reviews simulation techniques, providing background for the performance analyses of theories executed throughout the text using simulation data. Chapters describe integral equation theories, theoretical approaches for hard-sphere fluid or solid systems, and perturbation theories for simple fluids and solids for monocomponent and multicomponent systems. They also cover density functional theories for inhomogeneous systems and perturbative and nonperturbative approaches to describe the structure and thermodynamics of hard-body molecular fluids. The final chapter examines several more challenging systems, such as fluids near the critical point, liquid metals, molten salts, colloids, and aqueous protein solutions. This book offers a thorough account of the available equilibrium theories for the thermodynamic and structural properties of fluids and solids, with special focus on perturbation theories, emphasizing their applications, strengths, and weaknesses. Appropriate for experienced researchers as well as postgraduate students, the text presents a wide-ranging yet detailed view and provides a useful guide to the application of the theories described.
Book Synopsis Simulation of Liquids and Solids by : Giovanni Ciccotti
Download or read book Simulation of Liquids and Solids written by Giovanni Ciccotti and published by North Holland. This book was released on 1987 with total page 504 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Deep Eutectic Solvents in Liquid-Liquid Extraction by : Papu Kumar Naik
Download or read book Deep Eutectic Solvents in Liquid-Liquid Extraction written by Papu Kumar Naik and published by CRC Press. This book was released on 2022-11-07 with total page 204 pages. Available in PDF, EPUB and Kindle. Book excerpt: Deep eutectic solvents (DESs) are a new class of green solvents that open a whole new world of opportunities for separation challenges. This book comprehensively provides a detailed discussion of their application as an extractive solvent in separation processes, adopting molecular dynamics (MD) simulations for atomistic insight into the solute transfer across bi-phasic systems. Furthermore, it explains ternary and quaternary mixtures, including MD simulation of relevant DES systems. Features in this volume include the following: Applications of DESs in the extraction of aromatics and polyaromatics from fuel oil by liquid–liquid extraction Eutectic behavior with respect to hydrocarbon and aqueous solutions MD insights on extraction using DESs Possible industrial applicability of potential DESs Results from Gaussian, NAMD, and PACKMOL software packages This book is aimed at researchers and graduate students working in the field of fuels and petrochemicals, separation science, chromatography, and chemical processing and design.
Book Synopsis Thermodynamic Models by : Michael L. Michelsen
Download or read book Thermodynamic Models written by Michael L. Michelsen and published by . This book was released on 2007 with total page 382 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Chemical Engineering in the Pharmaceutical Industry, Active Pharmaceutical Ingredients by : David J. am Ende
Download or read book Chemical Engineering in the Pharmaceutical Industry, Active Pharmaceutical Ingredients written by David J. am Ende and published by John Wiley & Sons. This book was released on 2019-03-28 with total page 1168 pages. Available in PDF, EPUB and Kindle. Book excerpt: A guide to the development and manufacturing of pharmaceutical products written for professionals in the industry, revised second edition The revised and updated second edition of Chemical Engineering in the Pharmaceutical Industry is a practical book that highlights chemistry and chemical engineering. The book’s regulatory quality strategies target the development and manufacturing of pharmaceutically active ingredients of pharmaceutical products. The expanded second edition contains revised content with many new case studies and additional example calculations that are of interest to chemical engineers. The 2nd Edition is divided into two separate books: 1) Active Pharmaceutical Ingredients (API’s) and 2) Drug Product Design, Development and Modeling. The active pharmaceutical ingredients book puts the focus on the chemistry, chemical engineering, and unit operations specific to development and manufacturing of the active ingredients of the pharmaceutical product. The drug substance operations section includes information on chemical reactions, mixing, distillations, extractions, crystallizations, filtration, drying, and wet and dry milling. In addition, the book includes many applications of process modeling and modern software tools that are geared toward batch-scale and continuous drug substance pharmaceutical operations. This updated second edition: • Contains 30new chapters or revised chapters specific to API, covering topics including: manufacturing quality by design, computational approaches, continuous manufacturing, crystallization and final form, process safety • Expanded topics of scale-up, continuous processing, applications of thermodynamics and thermodynamic modeling, filtration and drying • Presents updated and expanded example calculations • Includes contributions from noted experts in the field Written for pharmaceutical engineers, chemical engineers, undergraduate and graduate students, and professionals in the field of pharmaceutical sciences and manufacturing, the second edition of Chemical Engineering in the Pharmaceutical Industry focuses on the development and chemical engineering as well as operations specific to the design, formulation, and manufacture of drug substance and products.
Book Synopsis The Water-Food-Energy Nexus by : I. M. Mujtaba
Download or read book The Water-Food-Energy Nexus written by I. M. Mujtaba and published by CRC Press. This book was released on 2017-09-11 with total page 768 pages. Available in PDF, EPUB and Kindle. Book excerpt: Exponential growth of the worldwide population requires increasing amounts of water, food, and energy. However, as the quantity of available fresh water and energy sources directly affecting cost of food production and transportation diminishes, technological solutions are necessary to secure sustainable supplies. In direct response to this reality, this book focuses on the water-energy-food nexus and describes in depth the challenges and processes involved in efficient water and energy production and management, wastewater treatment, and impact upon food and essential commodities. The book is organized into 4 sections on water, food, energy, and the future of sustainability, highlighting the interplay among these topics. The first section emphasizes water desalination, water management, and wastewater treatment. The second section discusses cereal processing, sustainable food security, bioenergy in food production, water and energy consumption in food processing, and mathematical modeling for food undergoing phase changes. The third section discusses fossil fuels, biofuels, synthetic fuels, renewable energy, and carbon capture. Finally, the book concludes with a discussion of the future of sustainability, including coverage of the role of molecular thermodynamics in developing processes and products, green engineering in process systems, petrochemical water splitting, petrochemical approaches to solar hydrogen generation, design and operation strategy of energy-efficient processes, and the sustainability of process, supply chain, and enterprise.
Book Synopsis Theory of Simple Liquids by : Jean-Pierre Hansen
Download or read book Theory of Simple Liquids written by Jean-Pierre Hansen and published by Academic Press. This book was released on 2013-08-12 with total page 637 pages. Available in PDF, EPUB and Kindle. Book excerpt: Comprehensive coverage of topics in the theory of classical liquids Widely regarded as the standard text in its field, Theory of Simple Liquids gives an advanced but self-contained account of liquid state theory within the unifying framework provided by classical statistical mechanics. The structure of this revised and updated Fourth Edition is similar to that of the previous one but there are significant shifts in emphasis and much new material has been added. Major changes and Key Features in content include: - Expansion of existing sections on simulation methods, liquid-vapour coexistence, the hierarchical reference theory of criticality, and the dynamics of super-cooled liquids. - New sections on binary fluid mixtures, surface tension, wetting, the asymptotic decay of pair correlations, fluids in porous media, the thermodynamics of glasses, and fluid flow at solid surfaces. - An entirely new chapter on applications to 'soft matter' of a combination of liquid state theory and coarse graining strategies, with sections on polymer solutions and polymer melts, colloidal dispersions, colloid-polymer mixtures, lyotropic liquid crystals, colloidal dynamics, and on clustering and gelation. - Expansion of existing sections on simulation methods, liquid-vapour coexistence, the hierarchian reference of criticality, and the dynamics of super-cooled liquids. - New sections on binary fluid mixtures, surface tension, wetting, the asymptotic decay of pair correlations, fluids in porous media, the thermodynamics of glasses, and fluid flow at solid surfaces. - An entirely new chapter on applications to 'soft matter' of a combination of liquid state theory and coarse graining strategies, with sections on polymer solutions and polymer melts, colloidal dispersions, colloid-polymer mixtures, lyotropic liquid crystals, colloidal dynamics, and on clustering and gelation.
Book Synopsis Vapor-liquid Equilibrium Data by : Shuzo Ohe
Download or read book Vapor-liquid Equilibrium Data written by Shuzo Ohe and published by . This book was released on 1989 with total page 742 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Theory and Simulation of Associating Fluids by : J. Karl Johnson
Download or read book Theory and Simulation of Associating Fluids written by J. Karl Johnson and published by . This book was released on 1992 with total page 292 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Development of Statistical Associating Fluid Theory for Aqueous Ionic Liquid Solutions by Implementing Monte Carlo Simulations and Ornstein-Zernike Integral Equation by : Hao Jiang
Download or read book Development of Statistical Associating Fluid Theory for Aqueous Ionic Liquid Solutions by Implementing Monte Carlo Simulations and Ornstein-Zernike Integral Equation written by Hao Jiang and published by . This book was released on 2014 with total page 199 pages. Available in PDF, EPUB and Kindle. Book excerpt: A recent version of statistical associating fluid theory (SAFT), namely SAFT2, is coupled with the van der Waals and Platteeuw theory to study the alkane hydrate phase equilibrium conditions. The model is found to provide an accurate representation of the alkane hydrate dissociation conditions with and without inhibitors, such as salts, alcohols, as well as mixed salts and alcohol. Based on SAFT2, a heterosegmented SAFT equation of state is developed to model the thermodynamic properties of aqueous ionic liquid (IL) solutions, which is recently discovered as dual function gas hydrate inhibitors. With transferrable model parameters, the heterosegmented SAFT generally well represents the liquid density, activity coefficient, and osmotic coefficient of aqueous imidazolium IL solutions. The inhibition effects of imidazolium IL on methane hydrate is also studied by the heterosegmented SAFT and the van der Waals and Platteeuw theory. The roles of pressure, anion type, alkyl length of the cation, and IL concentration on the hydrate inhibition performance of the imidazolium ILs are well captured. The heterosegmented SAFT is then modified to better represent the thermodynamic properties of aqueous IL solutions with the help of Monte Carlo simulation and the solutions of Ornstein-Zernike integral equation. Monte Carlo simulations are conducted on the fluid mixture of charged and neutral hard spheres to obtain its structure and excess energies, the results of which are compared with the thermodynamic properties predicted by solving Ornstein-Zernike equation with the Hypernetted Chain (HNC) and Mean Spherical Approximation (MSA) closures. A simple modification of MSA, referred to as KMSA, is proposed to accurately predict the excess energies of electrolyte system in mixture with neutral component. The KMSA improves the heterosegmented SAFT by taking the effect of neutral alkyl branches on the electrostatic interactions into consideration. Monte Carlo simulations are also conducted on flexible charged hard-sphere chain molecules, and a SAFT model which implements either a dimer or a dimer-monomer approach to account for the charged chain connectivity is proposed. With the SAFT model for charged hard-sphere chain, the cation heads and some anions of ILs are more accurately modeled as charged chains instead of charged spherical segments. With these improvements to the heterosegmented SAFT, a more accurate representation of activity coefficient and osmotic coefficient is achieved, and the modeling of aqueous IL solutions is extended to ammonium ILs and imidazolium ILs with organic anions. The inhibition effects of ammonium ILs on methane hydrate is investigated using the improved heterosegmented SAFT coupled with the van der Waals and Platteeuw theory, which is demonstrated to be a predictive tool for the screening of effective IL based hydrate inhibitor.
Book Synopsis Polymerization by : Ailton De Souza Gomes
Download or read book Polymerization written by Ailton De Souza Gomes and published by BoD – Books on Demand. This book was released on 2012-09-12 with total page 440 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book comprises the contributions of several authors in the area of polymer characterization by atomic force microscopy of the polymer network structure formed in Ferroelectric Liquid Crystals Cells; polymerization by microwave irradiation method of starch/acrylic acid/acrylamide; polymerization of olefins; emulsion polymerization; ring opening polymerization; cationic polymerization of vinyl monomers ; block and graft copolymerization by controlled/living polymerization; fabrication of doped microstructures by two-photon polymerization; rheology of biomaterials; plant cell wall polymers; polyADP-Ribosylation in postfertilization and genome reprogramming . We hope that this book will help inspire readers to pursue study and research in this field.
Book Synopsis Phase Behavior by : Curtis H. Whitson
Download or read book Phase Behavior written by Curtis H. Whitson and published by Society of Petroleum Engineers. This book was released on 2000 with total page 248 pages. Available in PDF, EPUB and Kindle. Book excerpt: Phase Behavior provides the reader with the tools needed to solve problems requiring a description of phase behavior and specific pressure/volume/temperature (PVT) properties.
Book Synopsis Fluid Phase Equilibrium as Modeled by the Statistical Associated Fluid Theory (SAFT) Equation of State by : Brian A. Ott
Download or read book Fluid Phase Equilibrium as Modeled by the Statistical Associated Fluid Theory (SAFT) Equation of State written by Brian A. Ott and published by . This book was released on 2009 with total page 408 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Asphaltene Deposition by : Francisco M. Vargas
Download or read book Asphaltene Deposition written by Francisco M. Vargas and published by CRC Press. This book was released on 2018-05-16 with total page 360 pages. Available in PDF, EPUB and Kindle. Book excerpt: As global consumption of fossil fuels such as oil increases, previously abundant sources have become depleted or plagued with obstructions. Asphaltene deposition is one of such obstructions which can significantly decrease the rate of oil production. This book offers concise yet thorough coverage of the complex problem of asphaltene precipitation and deposition in oil production. It covers fundamentals of chemistry, stabilization theories and mechanistic approaches of asphaltene behavior at high temperature and pressure. Asphaltene Deposition: Fundamentals, Prediction, Prevention, and Remediation explains techniques for experimental determination of asphaltene precipitation and deposition and different modeling tools available to forecast the occurrence and magnitude of asphaltene deposition in a given oil field. It discusses strategies for mitigation of asphaltene deposition using chemical inhibition and corresponding challenges, best practices for asphaltene remediation, current research, and case studies.
Book Synopsis Molecular Based Study of Fluid Phase Equilibria by : Dimitrios Michael Tsangaris
Download or read book Molecular Based Study of Fluid Phase Equilibria written by Dimitrios Michael Tsangaris and published by . This book was released on 1993 with total page 672 pages. Available in PDF, EPUB and Kindle. Book excerpt:
