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Author: Anton A. Kiss
Publisher: Elsevier
ISBN: 0128186356
Category : Technology & Engineering
Languages : en
Pages : 1886
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Book Description
The 29th European Symposium on Computer Aided Process Engineering, contains the papers presented at the 29th European Symposium of Computer Aided Process Engineering (ESCAPE) event held in Eindhoven, The Netherlands, from June 16-19, 2019. It is a valuable resource for chemical engineers, chemical process engineers, researchers in industry and academia, students, and consultants for chemical industries. - Presents findings and discussions from the 29th European Symposium of Computer Aided Process Engineering (ESCAPE) event
Author: Anton A. Kiss
Publisher: Elsevier
ISBN: 0128186356
Category : Technology & Engineering
Languages : en
Pages : 1886
Get Book Here
Book Description
The 29th European Symposium on Computer Aided Process Engineering, contains the papers presented at the 29th European Symposium of Computer Aided Process Engineering (ESCAPE) event held in Eindhoven, The Netherlands, from June 16-19, 2019. It is a valuable resource for chemical engineers, chemical process engineers, researchers in industry and academia, students, and consultants for chemical industries. - Presents findings and discussions from the 29th European Symposium of Computer Aided Process Engineering (ESCAPE) event
Author: Eli Ruckenstein
Publisher: Springer Science & Business Media
ISBN: 1441904409
Category : Science
Languages : en
Pages : 349
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Book Description
This book consists of a number of papers regarding the thermodynamics and structure of multicomponent systems that we have published during the last decade. Even though they involve different topics and different systems, they have something in common which can be considered as the “signature” of the present book. First, these papers are concerned with “difficult” or very nonideal systems, i. e. systems with very strong interactions (e. g. , hyd- gen bonding) between components or systems with large differences in the partial molar v- umes of the components (e. g. , the aqueous solutions of proteins), or systems that are far from “normal” conditions (e. g. , critical or near-critical mixtures). Second, the conventional th- modynamic methods are not sufficient for the accurate treatment of these mixtures. Last but not least, these systems are of interest for the pharmaceutical, biomedical, and related ind- tries. In order to meet the thermodynamic challenges involved in these complex mixtures, we employed a variety of traditional methods but also new methods, such as the fluctuation t- ory of Kirkwood and Buff and ab initio quantum mechanical techniques. The Kirkwood-Buff (KB) theory is a rigorous formalism which is free of any of the - proximations usually used in the thermodynamic treatment of multicomponent systems. This theory appears to be very fruitful when applied to the above mentioned “difficult” systems.
Author: Tamal Banerjee
Publisher: Elsevier
ISBN: 0128014903
Category : Technology & Engineering
Languages : en
Pages : 343
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Book Description
Desulphurization and Denitrification of Diesel Oil using Ionic Liquids: Experiments and Quantum Chemical Predictions discusses how quantum chemical calculations are applied to investigate the fundamental nature of the IL-sulphur-nitrogen systems at atomic and molecular levels. The book will help readers understand the nature of the structural relationship between molecules such as ionic liquid + aromatic sulphur + aromatic nitrogen system(s). In addition, COSMO-RS (Conductor Like Screening Model for Real Solvents) predictions and subsequent experimentation are discussed to evaluate the performance of ionic liquids for desulphurization and denitrification of diesel oil. - Provides current research on green solvents, such as ionic liquids, used in desulphurization and denitrification of fuels - Discusses the COSMO-RS model in predicting the properties of ionic liquids to aid in the design of separation processes - Includes real-world applications of desulphurization and denitrification using ionic liquids
Author: Roberto Todeschini
Publisher: John Wiley & Sons
ISBN: 9783527628773
Category : Science
Languages : en
Pages : 1257
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Book Description
The number-one reference on the topic now contains a wealth of new data: The entire relevant literature over the past six years has been painstakingly surveyed, resulting in hundreds of new descriptors being added to the list, and some 3,000 new references in the bibliography section. Volume 1 contains an alphabetical listing of more than 3300 descriptors and related terms for chemoinformatic analysis of chemical compound properties, while the second volume lists over 6,000 references selected from 450 journals. To make the data even more accessible, the introductory section has been completely re-written and now contains several "walk-through" reading lists of selected keywords for novice users.
Author: James Wei
Publisher: Elsevier
ISBN: 0080488269
Category : Technology & Engineering
Languages : en
Pages : 508
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Book Description
In recent years chemical engineers have become increasingly involved in the design and synthesis of new materials and products as well as the development of biological processes and biomaterials. Such applications often demand that product properties be controlled with precision. Molecular modeling, simulating chemical and molecular structures or processes by computer, aids scientists in this endeavor. Volume 28 of Advances in Chemical Engineering presents discussions of theoretical and computational methods as well as their applications to specific technologies.
Author: Daniel Glossman-Mitnik
Publisher: BoD – Books on Demand
ISBN: 1789852811
Category : Science
Languages : en
Pages : 260
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Book Description
Solvents and ionic liquids are ubiquitous within our whole life since ancient times and their effects are actually being studied through basic sciences like Chemistry, Physics and Biology as well as being researched by a large number of scientific disciplines.This book represents an attempt to present examples on the utility of old and new solvents and the effects they exercise on several fields of academic and industrial interest. The first section, Solvents, presents information on bio-solvents and their synthesis, industrial production and applications, about per and trichloroethylene air monitoring in dry cleaners in the city of Sfax (Tunsia) and on the synthesis of polyimides using molten benzoic acid as the solvent. The second section, Ionic Liquids, shows information about the synthesis, physicochemical characterization and exploration of antimicrobial activities of imidazolium ionic liquid-supported Schiff base and its transition metal complexes, the technology of heterogenization of transition metal catalysts towards the synthetic applications in an ionic liquid matrix, the progress in ionic liquids as reaction media, monomers, and additives in high-performance polymers, a pre-screening of ionic liquids as gas hydrate inhibitor via application of COSMO-RS for methane hydrate, the extraction of aromatic compounds from their mixtures with alkanes from ternary to quaternary (or higher) systems and a review on ionic liquids as environmental benign solvent for cellulose chemistry. The final section, Solvent Effects, displays interesting information on solvent effects on dye sensitizers derived from anthocyanidins for applications in photocatalysis, about the solvent effect on a model of SNAr reaction in conventional and non-conventional solvents, and on solvent effects in supramolecular systems.
Author: Natalia V. Plechkova
Publisher: John Wiley & Sons
ISBN: 1118839617
Category : Science
Languages : en
Pages : 274
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Book Description
Critical overviews from the front line of ionic liquids research Ionic Liquids Further UnCOILed: Critical Expert Overviews continues the discussion of new processes and developments in ionic liquid technology introduced in the first volume. Written by an international group of key academic and industrial chemists, this next book in the series includes eleven overviews of specific areas of ionic liquid chemistry including: Physicochemical properties of ionic liquids A patent survey Ionic liquid membrane technology Engineering simulations Molecular simulations The goal of this volume is to provide expert overviews that range from applied to theoretical, synthetic to analytical, and biotechnological to electrochemical, while also offering consistent abbreviations of ionic liquids throughout the text. The value of Ionic Liquids Further UnCOILed: Critical Expert Overviews lies in the authors’ expertise and their willingness to share it with the reader. Included in the book is insight into typical problems related to experimental techniques, selection of liquids, and variability of data—all of which were overseen by Professor Ken Seddon, one of the book’s editors and a world leader in ionic liquids. This book is a must read for R&D chemists in industrial, governmental, and academic laboratories, and for commercial developers of environmentally sustainable processes. It offers insight and appreciation for the direction in which the field is going, while also highlighting the best published works available, making it equally valuable to new and experienced chemists alike.
Author: Nuno A.G. Bandeira
Publisher: Walter de Gruyter GmbH & Co KG
ISBN: 3110481367
Category : Science
Languages : en
Pages : 362
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Book Description
This book gives an overview of recent integrated and inter-disciplinary approaches between chemical experiment and theory in a variety of fields, from polymer science to materials chemistry and ranging from the design of tailored properties to catalysis and reactivity, building on the well-established success of Density Functional Theory as the foremost quantum chemical method to provide qualitative and quantitative interpretation of results from the chemical laboratory. The combination of several characterization techniques with an understanding at the molecular level of chemical and physical phenomena are the main focal point of the subject matter.
Author: Yuriy A. Abramov
Publisher: John Wiley & Sons
ISBN: 1118700740
Category : Science
Languages : en
Pages : 450
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Book Description
This book is the first to combine computational material science and modeling of molecular solid states for pharmaceutical industry applications. • Provides descriptive and applied state-of-the-art computational approaches and workflows to guide pharmaceutical solid state chemistry experiments and to support/troubleshoot API solid state selection • Includes real industrial case examples related to application of modeling methods in problem solving • Useful as a supplementary reference/text for undergraduate, graduate and postgraduate students in computational chemistry, pharmaceutical and biotech sciences, and materials science
Author: Raimund Mannhold
Publisher: John Wiley & Sons
ISBN: 3527621296
Category : Science
Languages : en
Pages : 502
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Book Description
This first systematic overview for more than a decade is tailor-made for the medicinal chemist. All the chapters are written by experienced drug developers and include practical examples from real drug candidates. Following an introduction to global drug properties and their impact on drug research, screening and combinatorial chemistry libraries, this handbook demonstrates the best and fastest way to estimate those properties most relevant for the efficiency and pharmacokinetic performance of a drug molecule: lipophilicity,solubility, electronic properties and conformation.
