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Download or read book Advances in Chemical Modeling: v. 2 written by and published by . This book was released on 2011 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Mihai V. Putz
Publisher : Nova Science Publishers
ISBN 13 : 9781624176791
Total Pages : 480 pages
Book Rating : 4.1/5 (767 download)
Download or read book Advances in Chemical Modeling written by Mihai V. Putz and published by Nova Science Publishers. This book was released on 2011 with total page 480 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Denis Constales
Publisher : Elsevier
ISBN 13 : 0444594841
Total Pages : 416 pages
Book Rating : 4.4/5 (445 download)
Download or read book Advanced Data Analysis and Modelling in Chemical Engineering written by Denis Constales and published by Elsevier. This book was released on 2016-08-23 with total page 416 pages. Available in PDF, EPUB and Kindle. Book excerpt: Advanced Data Analysis and Modeling in Chemical Engineering provides the mathematical foundations of different areas of chemical engineering and describes typical applications. The book presents the key areas of chemical engineering, their mathematical foundations, and corresponding modeling techniques. Modern industrial production is based on solid scientific methods, many of which are part of chemical engineering. To produce new substances or materials, engineers must devise special reactors and procedures, while also observing stringent safety requirements and striving to optimize the efficiency jointly in economic and ecological terms. In chemical engineering, mathematical methods are considered to be driving forces of many innovations in material design and process development. Presents the main mathematical problems and models of chemical engineering and provides the reader with contemporary methods and tools to solve them Summarizes in a clear and straightforward way, the contemporary trends in the interaction between mathematics and chemical engineering vital to chemical engineers in their daily work Includes classical analytical methods, computational methods, and methods of symbolic computation Covers the latest cutting edge computational methods, like symbolic computational methods
Author : Mihai V. Putz
Publisher :
ISBN 13 : 9781634850551
Total Pages : pages
Book Rating : 4.8/5 (55 download)
Download or read book Advances in Chemical Modeling written by Mihai V. Putz and published by . This book was released on 2016 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Mihai V. Putz
Publisher : Nova Science Publishers
ISBN 13 : 9781634823111
Total Pages : 524 pages
Book Rating : 4.8/5 (231 download)
Download or read book Advances in Chemical Modeling written by Mihai V. Putz and published by Nova Science Publishers. This book was released on 2015-06-20 with total page 524 pages. Available in PDF, EPUB and Kindle. Book excerpt: In the 1970s, when something like chemical graph theory and molecular topology arose, the quantum chemical community began to criticize it, mainly with the argument that it reduced chemistry to mathematics, to empty meaningless numbers, to non-physical interpretable indices, to a combinatory without synthesis counterpart, to an algebra (matrices and polynomials) exercise; moreover, since the kenographs were mainly the objects of the chemical graph theory study, i.e. the chemical structures' skeleton (mostly of carbon-based contents) excluded the hydrogen structural influence (the most abundant element of universe) and even the hetero-atom combination, i.e. the essence of chemistry combinations. Therefore, so what for a whole theory of chemistry just for the carbon skeleton-based compounds? Years passed and the tension between the chemical graph theory/topology indices and the consecrated quantum chemistry/chemical reactivity indices continued, with fruitful results on both sides. It wasn't until the XXI century that arose the so-called nanoscience tendency to unify all natural sciences that work using models of causes at the nano-level of matter to describe and predict meso- to micro-/macro- chemistry (i.e. the chemistry of materials nowadays) with certain influences in bio-/eco-/pharmaco- toxicology and environment, so in everyday life and a sustainable (or not) future on planet Eaarth (double "aa" is for emergency)! The dawn of the XXI century brings the fertile idea that nanosystems are benchmarks of extended carbon systems, whose nano-precursors are benzenoids' condensations, so reviving in a surprising manner the interest of chemical graph theory first and then on its quantitative output through topological indices; yet, nowadays the challenge is double: nanochemistry should "color" the topology with quantum information and be applied to medium-to larger systems. The kenographs are no longer a problem as far-extended saturated systems are under focus; moreover, what is abstracted for graphs and nano-skeletons may work for Carbon as well as for Silicium, so opening/preparing the next stage in nanochemistry - the chemistry of Silicium, with so much promise to connect with long-expected first nano-tronic devices on a main stream level with harvesting, ecology, and sustainability effects in economy and social life! Aiming to document this undeniable nano-chemistry future, the present volume, while continuing the series, contains world-class research.
Author : Mihai V. Putz
Publisher : Nova Science Publishers
ISBN 13 : 9781622571116
Total Pages : 496 pages
Book Rating : 4.5/5 (711 download)
Download or read book Advances in Chemical Modeling written by Mihai V. Putz and published by Nova Science Publishers. This book was released on 2012 with total page 496 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : ConferenceSeries
Publisher : ConferenceSeries
ISBN 13 :
Total Pages : 84 pages
Book Rating : 4./5 ( download)
Download or read book Proceedings of 2nd International Conference on Advances in Chemical Engineering & Technology 2017 written by ConferenceSeries and published by ConferenceSeries. This book was released on with total page 84 pages. Available in PDF, EPUB and Kindle. Book excerpt: November 16-17, 2017 Paris, France key Topics : Chemical engineering, Catalysis Engineering, Biologically Engineered Systems, Bio Fuels, Biotechnology, Biomaterials, Water Technology and Innovation, Polymer Technology, Thermodynamic Process, Seperation Techniques, Biochemical Engineering, Transport Phenomenon, Fluid Dynamics, Chemical reaction Engineering, Petroleum Engineering, Safety Methods, Enterpreneurship Investment Meet, Carbon and Graphene Materials, Environmental Engineering,
Author : Guy B. Marin
Publisher : Elsevier
ISBN 13 : 0080466338
Total Pages : 419 pages
Book Rating : 4.0/5 (84 download)
Download or read book Advances in Chemical Engineering written by Guy B. Marin and published by Elsevier. This book was released on 2006-11-10 with total page 419 pages. Available in PDF, EPUB and Kindle. Book excerpt: The theme of the present volume of Advances in Chemical Engineering is Computational Fluid Dynamics (CFD) and aims to show the state-of-the-art of the application of CFD in chemical engineering. The volume is made up of five complementary contributions, providing a style of between a tutorial and a research paper. Some contributions are entirely limited to velocity and temperature fields. Others emphasize the difficulties associated with the combination of transport and reaction. Contributions include dealing with the simulation of gas-liquid bubble columns and gas-liquid-solid fluidized beds. Addressing the different levels of modeling that are required in order to cover the full spectrum of length scales that are important for industrial applications. Stirred turbulent vessels and the chemical reactions. The importance of chemical reaction kinetics and the interaction with transport phenomena. Finally, looking at reactor engineering: the catalytic fixed bed reactor. Original reviews Leading chemical engineers as authors Reviewing the state-of-the-art of Computational Fluid Dynamics (CFD)
Author : Jerzy Leszczynski
Publisher : Springer Science & Business Media
ISBN 13 : 9400709234
Total Pages : 550 pages
Book Rating : 4.4/5 (7 download)
Download or read book Practical Aspects of Computational Chemistry II written by Jerzy Leszczynski and published by Springer Science & Business Media. This book was released on 2012-07-09 with total page 550 pages. Available in PDF, EPUB and Kindle. Book excerpt: Practical Aspects of Computational Chemistry II: An Overview of the Last Two Decades and Current Trends gathers the discussion of advances made within the last 20 years by well-known experts in the area of theoretical and computational chemistry and physics. The title reflects the celebration of the twentieth anniversary of the “Conference on Current Trends in Computational Chemistry (CCTCC)” to success of which all authors contributed. Starting with the recent development of modeling of solvation effect using the Polarizable Continuum Model (PCM) at the Coupled-Cluster level and the effects of extreme pressure on the molecular properties within the PCM framework, this volume focuses on the association/dissociation of ion pairs in binary solvent mixtures, application of graph theory to determine the all possible structures and temperature-dependent distribution of water cluster, generalized-ensemble algorithms for the complex molecular simulation, QM/MD based investigation of formation of different nanostructures under nonequilibrium conditions, quantum mechanical study of chemical reactivity of carbon nanotube, covalent functionalization of single walled-carbon nanotube, designing of functional materials, importance of long-range dispersion interaction to study nanomaterials, recent advances in QSPR/QSAR analysis of nitrocompounds, prediction of physico-chemical properties of energetic materials, electronic structure and properties of 3d transition metal dimers, the s-bond activation reactions by transition metal complexes, theoretical modeling of environmental mercury depletion reaction, organolithium chemistry and computational modeling of low-energy electron induced DNA damage. Practical Aspects of Computational Chemistry II: An Overview of the Last Two Decades and Current Trends is aimed at theoretical and computational chemists, physical chemists, materials scientists, and particularly those who are eager to apply computational chemistry methods to problems of chemical and physical importance. This book provides valuable information to undergraduate, graduate, and PhD students as well as to established researchers. Practical Aspects of Computational Chemistry II: An Overview of the Last Two Decades and Current Trends is aimed at theoretical and computational chemists, physical chemists, materials scientists, and particularly those who are eager to apply computational chemistry methods to problems of chemical and physical importance. This book provides valuable information to undergraduate, graduate, and PhD students as well as to established researchers.
Author : Mihai V. Putz
Publisher : Nova Science Publishers
ISBN 13 : 9781628081862
Total Pages : 0 pages
Book Rating : 4.0/5 (818 download)
Download or read book Advances in Chemical Modeling. Volume 4 written by Mihai V. Putz and published by Nova Science Publishers. This book was released on 2013-09 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book contains world-class chapters in the fields of: Structural Physical Chemistry: Treating the Bose-Einstein condensate at the chemical interacting level of Kohn-Sham systems, modern inequality regarding pi-electronic energy, periodicity or diatomics, modelling the atomic structure in geometrical superior dimensional space, algebraic chemistry of reactivity, chemical reactivity within conceptual density functional theory (DFT); Structural Computational Chemistry: Covering theoretical studies of organic molecules in ground and excited states while modelling conformation, specific rotation, intra-molecular proton transfer, nucleophilic substitution, DFT algorithms; Modelling Experimental Chemistry: Studying the macroscopic and experimental influences on microscopic structure, spin transitions, triplet states, kinetics of detonation at molecular level, chemical kinetics and thermal decomposition; Structural Mathematical Chemistry: Approaches topological studies of extended systems: fullerenes, nanotubes, schwarzites, to the graphs characterisation by connectivity and topological indices modelling chemical reactivity; Structural Biological Chemistry: Modeling amino-acids and proteins interaction and behaviour in chemical bonding of bio-molecules; Computational Toxicology and Ecotoxicology: Describing the in silico relationship between the chemical structure and biological activity in various in vitro and in vivo environments; Modelling Environmental Chemistry: Explaining the macro-climate and pollution dynamics by recording and correlating of micro-behaviour on mapped ecological systems and physical territories; Educational Chemistry and Related Physical Sciences: Provides the enlighten connection between various models in chemistry and allied disciplines by innovative comparisons, changing classical or consecrated perspectives and principles, critically extending of the applicability domains of chemical models and interactions.
Author :
Publisher : Academic Press
ISBN 13 : 0128039310
Total Pages : 422 pages
Book Rating : 4.1/5 (28 download)
Download or read book Mesoscale Modeling in Chemical Engineering Part II written by and published by Academic Press. This book was released on 2016-02-16 with total page 422 pages. Available in PDF, EPUB and Kindle. Book excerpt: Mesoscale Modeling in Chemical Engineering, a volume in the Advances in Chemical Engineering series provides the reader with personal views of authorities in the field. Subjects covered are not limited to the classical chemical engineering disciplines, with contributions connecting chemical engineering to related scientific fields, thus providing new ideas for additional thought. The book balances well developed areas such as process industry, transformation of materials, energy, and environmental issues with areas where applications of chemical engineering are more recent or emerging. Contains reviews by leading authorities in the respective areas Presents Up-to-date reviews of latest techniques in modeling of catalytic processes Includes a mix of US and European authors, as well as academic/industrial/research institute perspectives Contains the critical connections between computation and experimental methods
Author : Hossein Ghanadzadeh Gilani
Publisher : CRC Press
ISBN 13 : 1466568887
Total Pages : 216 pages
Book Rating : 4.4/5 (665 download)
Download or read book Advanced Process Control and Simulation for Chemical Engineers written by Hossein Ghanadzadeh Gilani and published by CRC Press. This book was released on 2016-04-19 with total page 216 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book offers a modern view of process control in the context of today's technology. It provides innovative chapters on the growth of educational, scientific, and industrial research among chemical engineers. It presents experimental data on thermodynamics and provides a broad understanding of the main computational techniques used for chemical
Author : James Wei
Publisher : Elsevier
ISBN 13 : 0080488269
Total Pages : 508 pages
Book Rating : 4.0/5 (84 download)
Download or read book Molecular Modeling and Theory in Chemical Engineering written by James Wei and published by Elsevier. This book was released on 2001-12-18 with total page 508 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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 : Gabriel D. Roy
Publisher : CRC Press
ISBN 13 : 1420040685
Total Pages : 553 pages
Book Rating : 4.4/5 (2 download)
Download or read book Advances in Chemical Propulsion written by Gabriel D. Roy and published by CRC Press. This book was released on 2001-10-25 with total page 553 pages. Available in PDF, EPUB and Kindle. Book excerpt: Written by the scientists who performed the research, this book reports on the progress achieved by the outstanding team of researchers participating in the ONR Propulsion Program. It covers all aspects of the combustion process, from chemical synthesis, reaction pathways of the fuel, and combustor performance to the reduction of emissions, thrust vectoring, and control. The chapter authors discuss the relevant issues, describe their approach and results, and explain how the findings can be extended to practical applications. Richly illustrated and carefully edited for clarity, uniformity, and readability, this book offers a comprehensive survey of the field, from pre- to post-combustion.
Author : Knut-Andreas Lie
Publisher : Cambridge University Press
ISBN 13 : 1316519961
Total Pages : 625 pages
Book Rating : 4.3/5 (165 download)
Download or read book Advanced Modelling with the MATLAB Reservoir Simulation Toolbox written by Knut-Andreas Lie and published by Cambridge University Press. This book was released on 2021-11-25 with total page 625 pages. Available in PDF, EPUB and Kindle. Book excerpt: Presents advanced reservoir simulation methods used in the widely-used MRST open-source software for researchers, professionals, students.
Author :
Publisher :
ISBN 13 :
Total Pages : 1198 pages
Book Rating : 4.3/5 (91 download)
Download or read book Selected Water Resources Abstracts written by and published by . This book was released on 1988 with total page 1198 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Kunal Roy
Publisher : Springer
ISBN 13 : 3319568507
Total Pages : 555 pages
Book Rating : 4.3/5 (195 download)
Download or read book Advances in QSAR Modeling written by Kunal Roy and published by Springer. This book was released on 2017-05-22 with total page 555 pages. Available in PDF, EPUB and Kindle. Book excerpt: The book covers theoretical background and methodology as well as all current applications of Quantitative Structure-Activity Relationships (QSAR). Written by an international group of recognized researchers, this edited volume discusses applications of QSAR in multiple disciplines such as chemistry, pharmacy, environmental and agricultural sciences addressing data gaps and modern regulatory requirements. Additionally, the applications of QSAR in food science and nanoscience have been included – two areas which have only recently been able to exploit this versatile tool. This timely addition to the series is aimed at graduate students, academics and industrial scientists interested in the latest advances and applications of QSAR.
