Calculations in Chemistry

A Practical Approach
Author: Kingsley Anaba,MR Kingsley Anaba Msc
Publisher: CreateSpace
ISBN: 9781508705239
Category:
Page: 212
View: 3344
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Ever thought there could be an easy way to master calculations in chemistry? Well, this book takes a practical and common sense approach to calculations in chemistry. Learners from GCSE/O'Levels right through to A Levels will find this book very indispensable as it covers calculations from the basics, starting from the building blocks of matter down to more complicated calculations in chemistry. This book touches on nearly all types of calculation you could come across in secondary school right up to second year in the university or college, gradually building up on the learners basic understandings of the inner workings of the subject.

Power Plant Water Chemistry

A Practical Guide
Author: Brad Buecker
Publisher: PennWell Books
ISBN: 9780878146192
Category: Technology & Engineering
Page: 251
View: 1293
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Plant efficiency and profitability depend on avoiding such problems as pH extremes, oxygen scavenging, corrosion, scale, and contamination. This practical handbook provides detailed discussion and examples of solutions to water chemistry problems in power plant boilers. Formulas and calculations are provided for each area of concern. Contents: Introduction to steam generation to water chemistry systems; Condensate feedwater chemistry; Boiler water chemistry; Steam chemistry; High-purity makeup water treatment; Cooling water chemistry; Sampling.

Density Functional Theory

A Practical Introduction
Author: David Sholl,Janice A Steckel
Publisher: John Wiley & Sons
ISBN: 1118211049
Category: Science
Page: 252
View: 4501
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Demonstrates how anyone in math, science, and engineering can master DFT calculations Density functional theory (DFT) is one of the most frequently used computational tools for studying and predicting the properties of isolated molecules, bulk solids, and material interfaces, including surfaces. Although the theoretical underpinnings of DFT are quite complicated, this book demonstrates that the basic concepts underlying the calculations are simple enough to be understood by anyone with a background in chemistry, physics, engineering, or mathematics. The authors show how the widespread availability of powerful DFT codes makes it possible for students and researchers to apply this important computational technique to a broad range of fundamental and applied problems. Density Functional Theory: A Practical Introduction offers a concise, easy-to-follow introduction to the key concepts and practical applications of DFT, focusing on plane-wave DFT. The authors have many years of experience introducing DFT to students from a variety of backgrounds. The book therefore offers several features that have proven to be helpful in enabling students to master the subject, including: Problem sets in each chapter that give readers the opportunity to test their knowledge by performing their own calculations Worked examples that demonstrate how DFT calculations are used to solve real-world problems Further readings listed in each chapter enabling readers to investigate specific topics in greater depth This text is written at a level suitable for individuals from a variety of scientific, mathematical, and engineering backgrounds. No previous experience working with DFT calculations is needed.

Using Artificial Intelligence in Chemistry and Biology

A Practical Guide
Author: Hugh Cartwright
Publisher: CRC Press
ISBN: 9780849384141
Category: Science
Page: 360
View: 5847
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Possessing great potential power for gathering and managing data in chemistry, biology, and other sciences, Artificial Intelligence (AI) methods are prompting increased exploration into the most effective areas for implementation. A comprehensive resource documenting the current state-of-the-science and future directions of the field is required to furnish the working experimental scientist and newcomer alike with the background necessary to utilize these methods. In response to the growing interest in the potential scientific applications of AI, Using Artificial Intelligence in Chemistry and Biology explains in a lucid, straightforward manner how these methods are used by scientists and what can be accomplished with them. Designed for those with no prior knowledge of AI, computer science, or programming, this book efficiently and quickly takes you to the point at which meaningful scientific applications can be investigated. The approach throughout is practical and direct, employing figures and illustrations to add clarity and humor to the topics at hand. Unique in scope, addressing the needs of scientists across a range of disciplines, this book provides both a broad overview and a detailed introduction to each of the techniques discussed. Chapters include an introduction to artificial intelligence, artificial neural networks, self-organizing maps, growing cell structures, evolutionary algorithms, cellular automata, expert systems, fuzzy logic, learning classifier systems, and evolvable developmental systems. The book also comes with a CD containing a complete version of the EJS software with which most of the calculations were accomplished. Encouraging a broader application of AI methods, this seminal work gives software designers a clearer picture of how scientists use AI and how to address those needs, and provides chemists, biologists, physicists, and others with the tools to increase the speed and efficiency of their work.

Quality Assurance and Quality Control in the Analytical Chemical Laboratory

A Practical Approach, Second Edition
Author: Piotr Konieczka,Jacek Namiesnik
Publisher: CRC Press
ISBN: 9781420082715
Category: Science
Page: 232
View: 4310
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A Practical Tool for Learning New Methods Quality assurance and measurement uncertainty in analytical laboratories has become increasingly important. To meet increased scrutiny and keep up with new methods, practitioners very often have to rely on self-study. A practical textbook for students and a self-study tool for analytical laboratory employees, Quality Assurance and Quality Control in the Analytical Chemical Laboratory: A Practical Approach defines the tools used in QA/QC, especially the application of statistical tools during analytical data treatment. Unified Coverage of QA in Analytical Chemistry Clearly written and logically organized, this book delineates the concepts of practical QA/QC, taking a generic approach that can be applied to any field of analysis. Using an approach grounded in hands-on experience, the book begins with the theory behind quality control systems and then moves on to discuss examples of tools such as validation parameter measurements, the use of statistical tests, counting the margin of error, and estimating uncertainty. The authors draw on their experience in uncertainty estimation, traceability, reference materials, statistics, proficiency tests, and method validation to provide practical guidance on each step of the process. Extended Coverage of QC/QA in Analytical and Testing Laboratories Presenting guidance on all aspects of QA and measurement results, the book covers QC/QA in a more complex and extended manner than other books on this topic. This range of coverage supplies an integrated view on measures like the use of reference materials and method validation. With worked-out examples and Excel spreadsheets that users can use to try the concepts themselves, the book provides not only know-what but know-how.

Contemporary Chemistry: A Practical Approach


Author: Leonard Saland
Publisher: Walch Publishing
ISBN: 9780825123184
Category: Education
Page: 170
View: 8375
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This comprehensive guide gives you lesson plans, activities, and tests for two sequential, semester-long chemistry courses. It is designed to work with our student book Contemporary Chemistry. Each lesson plan features: a DO NOW section to engage students as soon as they get to class instructional objectives an aimfor that class period a motivational application questions or demonstrations to help students draw valid conclusions homework assignments You also get term calendars, weekly tests, and complete answer keys.

Process Control

A Practical Approach
Author: Myke King
Publisher: John Wiley & Sons
ISBN: 0470976667
Category: Technology & Engineering
Page: 416
View: 6090
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So why another book on process control? Process Control: A Practical Approach is a ground-breaking guide that provides everything needed to design and maintain process control applications. The book follows the hierarchy from basic control, through advanced regulatory control, up to and including multivariable control. It addresses many process-specific applications including those on fired heaters, compressors and distillation columns. Written with the practicing control engineer in mind, the book: Brings together proven design methods, many of which have never been published before Focuses on techniques that have an immediate practical application Minimizes the use of daunting mathematics – but for the more demanding reader, complex mathematical derivations are included at the end of each chapter Covers the use of all the algorithms, common to most distributed control systems This book raises the standard of what might be expected of even basic controls. In addition to the design methods it describes any shortcuts that can be taken and how to avoid common pitfalls. Proper application will result in significant improvements to process performance. Myke King’s practical approach addresses the needs of the process industry, and will improve the working practices of many control engineers. “This book would be of value to process control engineers in any country.” – Mr Andrew Ogden-Swift, Chairmain, Process Management and Control Subject Group, Institution of Chemical Engineers, UK “This book should take the process-control world by storm.” – Edward Dilley, Lecturer in Process Control, ESD Simulation Training

Introduction to Computational Chemistry


Author: Frank Jensen
Publisher: John Wiley & Sons
ISBN: 1118825950
Category: Science
Page: 664
View: 5930
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Introduction to Computational Chemistry 3rd Edition provides a comprehensive account of the fundamental principles underlying different computational methods. Fully revised and updated throughout to reflect important method developments and improvements since publication of the previous edition, this timely update includes the following significant revisions and new topics: * Polarizable force fields * Tight-binding DFT * More extensive DFT functionals, excited states and time dependent molecular properties * Accelerated Molecular Dynamics methods * Tensor decomposition methods * Cluster analysis * Reduced scaling and reduced prefactor methods Additional information is available at: www.wiley.com/go/jensen/computationalchemistry3

A Practical Guide to Scientific Data Analysis


Author: David J. Livingstone
Publisher: John Wiley & Sons
ISBN: 047068481X
Category: Science
Page: 358
View: 4716
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Inspired by the author's need for practical guidance in the processes of data analysis, A Practical Guide to Scientific Data Analysis has been written as a statistical companion for the working scientist. This handbook of data analysis with worked examples focuses on the application of mathematical and statistical techniques and the interpretation of their results. Covering the most common statistical methods for examining and exploring relationships in data, the text includes extensive examples from a variety of scientific disciplines. The chapters are organised logically, from planning an experiment, through examining and displaying the data, to constructing quantitative models. Each chapter is intended to stand alone so that casual users can refer to the section that is most appropriate to their problem. Written by a highly qualified and internationally respected author this text: Presents statistics for the non-statistician Explains a variety of methods to extract information from data Describes the application of statistical methods to the design of “performance chemicals” Emphasises the application of statistical techniques and the interpretation of their results Of practical use to chemists, biochemists, pharmacists, biologists and researchers from many other scientific disciplines in both industry and academia.

A Practical Introduction to the Simulation of Molecular Systems


Author: Martin J. Field
Publisher: Cambridge University Press
ISBN: 1139465813
Category: Science
Page: N.A
View: 2269
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Molecular simulation is a powerful tool in materials science, physics, chemistry and biomolecular fields. This updated edition provides a pragmatic introduction to a wide range of techniques for the simulation of molecular systems at the atomic level. The first part concentrates on methods for calculating the potential energy of a molecular system, with new chapters on quantum chemical, molecular mechanical and hybrid potential techniques. The second part describes methods examining conformational, dynamical and thermodynamical properties of systems, covering techniques including geometry-optimization, normal-mode analysis, molecular dynamics, and Monte Carlo simulation. Using Python, the second edition includes numerous examples and program modules for each simulation technique, allowing the reader to perform the calculations and appreciate the inherent difficulties involved in each. This is a valuable resource for researchers and graduate students wanting to know how to use atomic-scale molecular simulations. Supplementary material, including the program library and technical information, available through www.cambridge.org/9780521852524.

A Practical Introduction to the Simulation of Molecular Systems


Author: Martin J. Field
Publisher: Cambridge University Press
ISBN: 9780521581295
Category: Science
Page: 325
View: 5424
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Advanced text on computer modeling in chemistry and physics.

Soil and Environmental Chemistry


Author: William F. Bleam
Publisher: Academic Press
ISBN: 0128041951
Category: Science
Page: 586
View: 3042
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Soil and Environmental Chemistry, Second Edition, presents key aspects of soil chemistry in environmental science, including dose responses, risk characterization, and practical applications of calculations using spreadsheets. The book offers a holistic, practical approach to the application of environmental chemistry to soil science and is designed to equip the reader with the chemistry knowledge and problem-solving skills necessary to validate and interpret data. This updated edition features significantly revised chapters, averaging almost a 50% revision overall, including some reordering of chapters. All new problem sets and solutions are found at the end of each chapter, and linked to a companion site that reflects advances in the field, including expanded coverage of such topics as sample collection, soil moisture, soil carbon cycle models, water chemistry simulation, alkalinity, and redox reactions. There is also additional pedagogy, including key term and real-world scenarios. This book is a must-have reference for researchers and practitioners in environmental and soil sciences, as well as intermediate and advanced students in soil science and/or environmental chemistry. Includes additional pedagogy, such as key terms and real-world scenarios Supplemented by over 100 spreadsheets to migrate readers from calculator-based to spreadsheet-based problem-solving that are directly linked from the text Includes example problems and solutions to enhance understanding Significantly revised chapters link to a companion site that reflects advances in the field, including expanded coverage of such topics as sample collection, soil moisture, soil carbon cycle models, water chemistry simulation, alkalinity, and redox reactions

Practical Design Calculations for Groundwater and Soil Remediation, Second Edition


Author: Jeff Kuo
Publisher: CRC Press
ISBN: 1466585242
Category: Science
Page: 320
View: 4166
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Includes Illustrative Applications of Practical Design Calculations Written in a straightforward style and user-friendly format, Practical Design Calculations for Groundwater and Soil Remediation, Second Edition highlights the essential concepts and important aspects of major design calculations used in soil and groundwater remediation. Drawing from the author’s teaching and consulting experience, this text provides practical information that addresses the current needs of practicing engineers, scientists, and legal experts in the field. What’s New in This Edition: This latest edition covers important aspects of major design calculations as well as practical and relevant working information for groundwater and soil remediation. Realistic examples are used liberally to illustrate the applications of the design calculations. Many examples are designed to assist the readers in building the right concepts. The text begins with an introductory chapter; it then illustrates the engineering calculations needed during site assessment and remedial investigation. It continues with a discussion on plume migration in soil and groundwater. It then covers the mass-balance concept, reaction kinetics, and types, configurations, and sizing of reactors. The author incorporates important design calculations for commonly used in situ and ex situ soil and groundwater remediation technologies, such as soil venting, air sparging, air stripping, bioremediation, and chemical oxidation, and off-gas treatment technologies. He also presents design calculations for capture zone and optimal well spacing. Includes both SI and US customary units, as well as unit conversions Presents examples that directly follow the design equations Provides discussion that assists engineers in building proper concepts Practical Design Calculations for Groundwater and Soil Remediation, Second Edition also serves as a reference or textbook for students dedicated to the study of site remediation.

Water

A Comprehensive Guide for Brewers
Author: John Palmer,Colin Kaminski
Publisher: Brewers Publications
ISBN: 1938469100
Category: Cooking
Page: 300
View: 7851
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Water is arguably the most critical and least understood of the foundation elements in brewing beer. Water: A Comprehensive Guide for Brewers, third in Brewers Publications’ Brewing Elements series, takes the mystery out of water’s role in the brewing process. The book leads brewers through the chemistry and treatment of brewing water, from an overview of water sources, to adjusting water for different beer styles, and different brewery processes, to wastewater treatment. The discussions include how to read water reports, understanding flavor contributions, residual alkalinity, malt acidity, and mash pH.

Basic Principles and Calculations in Process Technology


Author: T. David Griffith
Publisher: Prentice Hall
ISBN: 0133388352
Category: Technology & Engineering
Page: 648
View: 2861
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A Practical Guide to Physical and Chemical Principles and Calculations for Today’s Process Control Operators In Basic Principles and Calculations in Process Technology, author T. David Griffith walks process technologists through the basic principles that govern their operations, helping them collaborate with chemical engineers to improve both safety and productivity. He shows process operators how to go beyond memorizing rules and formulas to understand the underlying science and physical laws, so they can accurately interpret anomalies and respond appropriately when exact rules or calculation methods don’t exist. Using simple algebra and non-technical analogies, Griffith explains each idea and technique without calculus. He introduces each topic by explaining why it matters to process technologists and offers numerous examples that show how key principles are applied and calculations are performed. For end-of-chapter problems, he provides the solutions in plain-English discussions of how and why they work. Chapter appendixes provide more advanced information for further exploration. Basic Principles and Calculations in Process Technology is an indispensable, practical resource for every process technologist who wants to know “what the numbers mean” so they can control their systems and processes more efficiently, safely, and reliably. T. David Griffith received his B.S. in chemical engineering from The University of Texas at Austin and his Ph.D. from the University of Wisconsin-Madison, then top-ranked in the discipline. After working in research on enhanced oil recovery (EOR), he cofounded a small chemical company, and later in his career he developed a record-setting Electronic Data Interchange (EDI) software package. He currently instructs in the hydrocarbon processing industry. Coverage includes • Preparing to solve problems by carefully organizing them and establishing consistent sets of measures • Calculating areas and volumes, including complex objects and interpolation • Understanding Boyle’s Law, Charles’s Law, and the Ideal Gas Law • Predicting the behavior of gases under extreme conditions • Applying thermodynamic laws to calculate work and changes in gas enthalpy, and to recognize operational problems • Explaining phase equilibria for distillation and fractionalization • Estimating chemical reaction speed to optimize control • Balancing material or energy as they cross system boundaries • Using material balance calculations to confirm quality control and prevent major problems • Calculating energy balances and using them to troubleshoot poor throughput • Understanding fluid flow, including shear, viscosity, laminar and turbulent flows, vectors, and tensors • Characterizing the operation of devices that transport heat energy for heating or cooling • Analyzing mass transfer in separation processes for materials purification

A Practical Guide to Understanding, Managing, and Reviewing Environmental Risk Assessment Reports


Author: Sally L. Benjamin,David A. Belluck
Publisher: CRC Press
ISBN: 1420026275
Category: Technology & Engineering
Page: 680
View: 709
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A Practical Guide to Understanding, Managing and Reviewing Environmental Risk Assessment Reports provides team leaders and team members with a strategy for developing the elements of risk assessment into a readable and beneficial report. The authors believe that successful management of the risk assessment team is a key factor is quality reports. Leadership first clarifies the roles of each participant and the unique technical factors of their respective disciplines. Teamwork is achieved through an emphasis on common language and procedures. Belluck and Benjamin explore a variety of techniques for creating accurate and useful reports. An example is Proactive Risk Assessment, which breaks a project into discrete parts to be delivered on an interim basis. This method, based on iterative review, drastically increases the chance of detecting errors while they can still be corrected. The authors emphasize rigorous standards by which reports are audited, evaluated and critiqued. The goal is to create reports that are accurate, useful and, adaptable on an industry-wide basis.

Practical Approach to Exergy and Thermoeconomic Analyses of Industrial Processes


Author: Enrique Querol,Borja Gonzalez-Regueral,Jose Luis Perez-Benedito
Publisher: Springer Science & Business Media
ISBN: 1447146220
Category: Business & Economics
Page: 84
View: 564
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Although the exergy method has been featured as the subject of many publishing papers in scientific and engineering journals and at conferences, very few comprehensive books on this subject have been published so far. Practical Approach to Exergy and Thermoeconomic Analyses of Industrial Processes details the exergetic and thermoeconomic analyses of industrial processes using Aspen Plus and a novel Microsoft Excel Application developed by the authors which can be applied to industrial processes across the board. Employing a practical approach to an innovative and complex energy process, every chapter contains extensive explanations of a complex and real case and numerous examples whose solution demonstrates the application of theory to a wide range of real and practical problems. Illustrations, tables and graphs support and illustrate the new methodology to build a deep understanding of the real employment of the fuel used and the cost formation and increase inside the process. Practical Approach to Exergy and Thermoeconomic Analyses of Industrial Processes provides users, students and practitioners of process analysis, power plant design and fuel use optimization, with a broad introduction and approach to computer aided process optimization. It also serves as a comprehensive guide to the operational application of the MHBT to real cases analysis.

Electronic Structure Calculations for Solids and Molecules

Theory and Computational Methods
Author: Jorge Kohanoff
Publisher: Cambridge University Press
ISBN: 1139453483
Category: Science
Page: N.A
View: 5703
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Electronic structure problems are studied in condensed matter physics and theoretical chemistry to provide important insights into the properties of matter. This 2006 graduate textbook describes the main theoretical approaches and computational techniques, from the simplest approximations to the most sophisticated methods. It starts with a detailed description of the various theoretical approaches to calculating the electronic structure of solids and molecules, including density-functional theory and chemical methods based on Hartree-Fock theory. The basic approximations are thoroughly discussed, and an in-depth overview of recent advances and alternative approaches in DFT is given. The second part discusses the different practical methods used to solve the electronic structure problem computationally, for both DFT and Hartree-Fock approaches. Adopting a unique and open approach, this textbook is aimed at graduate students in physics and chemistry, and is intended to improve communication between these communities. It also serves as a reference for researchers entering the field.

Ionic Equilibrium

Solubility and PH Calculations
Author: James Newton Butler
Publisher: John Wiley & Sons
ISBN: 9780471585268
Category: Science
Page: 559
View: 9662
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A celebrated classic in the field updated and expanded to include the latest computerized calculation techniques In 1964, James N. Butler published a book in which he presented some simple graphical methods of performing acid-base, solubility, and complex formation equilibrium calculations. Today, both the book and these methods have become standard for generations of students and professionals in fields ranging from environmental science to analytical chemistry. Named a "Citation Classic" by the Science Citation Index in 1990, the book, Ionic Equilibrium, continues to be one of the most widely used texts on the subject. So why tamper with near-perfection by attempting a revision of that classic? The reason is simple-- the recent rapid development and wide availability of personal computers. In the revised Ionic Equilibrium, Dr. Butler updates his 1964 work by abandoning the slide rule and graph paper for the PC spreadsheet. He also expands the original coverage with extensive material on basic principles and recent research. The first part of Ionic Equilibrium is devoted to the fundamentals of acid-base, solubility, and complex formation equilibria. In the second part, the author discusses oxidation-reduction equilibria, develops the principles of carbon dioxide equilibria, presents case studies demonstrating the ways in which carbon dioxide equilibria are used in physiology and oceanography, and explores the possibility of a pH scale for brines. The concluding chapter, written by David R. Cogley, gives examples of general computer programs that are capable of performing equilibrium calculations on systems of many components. Replete with real-world examples, details of important calculations, and practical problems, Ionic Equilibrium is an ideal course text for students of environmental chemistry, engineering, or health; analytical chemistry; oceanography; geochemistry; biochemistry; physical chemistry; and clinical chemistry. It is also a valuable working resource for professionals in those fields as well as industrial chemists involved with solution chemistry.