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Modeling and Simulation of Solid-Liquid Equilibrium by Perturbed-Chain Statistical Associating Fluid Theory

Modeling and Simulation of Solid-Liquid Equilibrium by Perturbed-Chain Statistical Associating Fluid Theory PDF Author:
Publisher:
ISBN:
Category :
Languages : en
Pages :

Book Description
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.

Modeling and Simulation of Solid-Liquid Equilibrium by Perturbed-Chain Statistical Associating Fluid Theory

Modeling and Simulation of Solid-Liquid Equilibrium by Perturbed-Chain Statistical Associating Fluid Theory PDF Author:
Publisher:
ISBN:
Category :
Languages : en
Pages :

Book Description
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.

Modeling of Solid-Liquid Equilibrium

Modeling of Solid-Liquid Equilibrium PDF Author: Sunil Maity
Publisher: LAP Lambert Academic Publishing
ISBN: 9783838314921
Category :
Languages : en
Pages : 88

Book Description
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.

Perturbation Theories for the Thermodynamic Properties of Fluids and Solids

Perturbation Theories for the Thermodynamic Properties of Fluids and Solids PDF Author: J. R. Solana
Publisher: CRC Press
ISBN: 1439807760
Category : Science
Languages : en
Pages : 400

Book Description
Perturbation theory forms an important basis for predicting the thermodynamic characteristics of real fluids and solids. This book 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 book avoids complex theoretical derivations as much as possible. 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.

Simulation of Liquids and Solids

Simulation of Liquids and Solids PDF Author: Giovanni Ciccotti
Publisher: North Holland
ISBN:
Category : Mathematics
Languages : en
Pages : 504

Book Description


Deep Eutectic Solvents in Liquid-Liquid Extraction

Deep Eutectic Solvents in Liquid-Liquid Extraction PDF Author: Papu Kumar Naik
Publisher: CRC Press
ISBN: 1000708608
Category : Science
Languages : en
Pages : 204

Book Description
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.

Chemical Engineering in the Pharmaceutical Industry, Active Pharmaceutical Ingredients

Chemical Engineering in the Pharmaceutical Industry, Active Pharmaceutical Ingredients PDF Author: David J. am Ende
Publisher: John Wiley & Sons
ISBN: 1119285887
Category : Technology & Engineering
Languages : en
Pages : 1168

Book Description
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.

Thermodynamic Models

Thermodynamic Models PDF Author: Michael L. Michelsen
Publisher:
ISBN: 9788798996132
Category : Phase rule and equilibrium
Languages : en
Pages : 382

Book Description


The Water-Food-Energy Nexus

The Water-Food-Energy Nexus PDF Author: I. M. Mujtaba
Publisher: CRC Press
ISBN: 1498760848
Category : Technology & Engineering
Languages : en
Pages : 768

Book Description
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.

Theory of Simple Liquids

Theory of Simple Liquids PDF Author: Jean-Pierre Hansen
Publisher: Academic Press
ISBN: 012387033X
Category : Science
Languages : en
Pages : 637

Book Description
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.

Polymerization

Polymerization PDF Author: Ailton De Souza Gomes
Publisher: BoD – Books on Demand
ISBN: 9535107453
Category : Science
Languages : en
Pages : 440

Book Description
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.