This book explores the applications of computational chemistry ranging from the pharmaceutical industry and molecular structure determination to spectroscopy and astrophysics. The authors detail how calculations can be used to solve a wide range of practical challenges encountered in research and industry.

Nanoremediation: Modern Technologies for Treatment of Environmental Pollutants is a comprehensive reference that highlights established nano-remediation practices, discusses their rapidly emerging applications in industry, and points out future research directions. The book provides researchers and scientists in academia and industry with a high-tech start-up that will revolutionize modern remediation practices. It condenses all relevant information on nano-remediation and provides an amalgamation of the latest trends in the field. In addition, the book handles the design and modeling of nano-remediation processes and the trends and challenges that nano-remediation is facing in various sectors. Special attention is given to approaches that lead to green and sustainable industrial developments, as well as to the legal, economical and toxicity aspects of nano-remediation.

Theoretical Concepts of Photocatalysis offers a systematic overview of photocatalysis while also exploring the theory and experimental studies of charge carrier dynamics. Introducing the fundamental concepts of photocatalytic reactions involving different types of photocatalysts for various applications, including the treatment of water and air, in food packaging, and in the biomedical and medical fields, the book shows different classes of photocatalysts for novel energy and environmental related applications. In addition, significant advantages, such as its low cost, high efficiency, harmlessness and stability are discussed alongside future perspectives and challenges related to photocatalysis. Focusing on nanostructure control, synthesis methods, activity enhancement strategies, environmental applications, and perspectives of semiconductor-based nanostructures, this book offers guidelines for designing new semiconductor-based photocatalysts with low cost and high efficiency to meet the demands of the efficient utilization of solar energy in the area of energy production and environment remediation.

PART I - APPARATUS AND PRINCIPLES USED IN MICRODIFFUSION ANALYSIS - II. A STANDARD MICRO DIFFUSION APPARATUS OR 'UNIT' - III. FACTORS INFLUENCING THE ABSORPTION RATE FROM OUTER TO INNER CHAMBER WITH SPECIAL REFERENCE TO AMMONIA - IV. GENERAL PRINCIPLES GOVERNING THE ABSORPTION TIME IN MICRO DIFFUSION ANALYSIS - V. PIPETTES (SUITABLE FOR USE WITH THE STANDARD UNITS) AND THEIR DELIVERY ERRORS - VI. MICRO-BURETTES (SUITABLE FOR USE WITH THE STANDARD UNITS) AND ERRORS INVOLVED IN THEIR USE - VII. THE MICRODIFFUSION METHOD WITH END-POINT VOLUMES AROUND 20 CUBIC MILLIMETRES - VII. COLORIMETRY IN THE MICRODIFFUSION METHODS - PART II - DESCRIPTION OF METHODS WITH THE STANDARD UNITS - IX. AMMONIA. GENERAL METHOD USING STANDARD ACID AS ABSORBENT - X. AMMONIA. GENERAL METHOD (USING THE BORIC-HCL PROCEDURE) - XI. SPECIAL FACTORS INFLUENCING THE RATE OF AMMONIA ABSORPTION - XII. OTHER METHODS FOR DETERMINING THE ABSORBED AMMONIA IN THE MICRO DIFFUSION PROCEDURE - XIII. AMMONIA. BIOLOGICAL DETERMINATIONS - XIV. TOTAL NITROGEN XVII. UREA (BLOOD AND URINE) - XIX. ADENOSINETRIPHOSPHORIC ACID, ADENYLIC ACID, ADENOSINE, ETC. - XX. NITRATE, NITRITE AND AMIDE NITROGEN - XXII. MONOAMINE OXIDASE AND HISTAMINASE IN TISSUES - XXIII. DETERMINATION OF VOLATILE AMINES - XXIV. CARBONATES AND BICARBONATE - XXV. BLOOD GLUCOSE AND FERMENTABLE SUGAR IN NORMAL URINE - XXVI. DETERMINATION OF CARBONIC ANHYDRASE - XXVII. OXIDATION RATES OF ORGANIC SUBSTANCES WITH A STANDARD OXIDANT WITH APPLICATION TO DETERMINATION OF MINUTE AMOUNTS OF CALCIUM AS OXALATE - XXVIII. ACETIC ACID AND OTHER LOWER FATTY ACIDS - XXIX. ASSAY OF ACETYLCHOLINESTERASE - XXX. CYANIDE, AZIDE, SULPHIDE, PHENOLS - XXXI. METHANOL AND ISOPROPANOL GROUP - XXXII. ETHANOL - XXXIII. ETHANOL FROM URETHANE - XXXIV. FORMALDEHYDE - XXXV. FORMALDEHYDOGENIC STEROIDS (PERIODIC ACID AS OXIDANT) - XXXVI. FORMALDEHYDOGENIC STEROIDS (SODIUM BISMUTHATE AS OXIDANT) - XXXVII. GLYCINE (FORMALDEHYDE PRODUCED BY NINHYDRIN OXIDATION) - XXXVIII. ACETALDEHYDE (SEMICARBAZIDE ABSORPTION) - XXXIX. ACETALDEHYDE FROM LACTIC ACID AND THREONINE WITH BISULPHITE ABSORPTION - XL. ACETONE (INCLUDING A RAPID CLINICAL METHOD USING THE NESSLER SOLUTION) - XLI. THE HALOGENS (INTRODUCTORY) - XLII. CHLORIDE (BY OXIDATION TO CHLORINE AND ABSORPTION INTO IODIDE) - XLIII. CHLORIDE (BY OXIDATION TO CHLORINE AND ABSORPTION INTO FAST GREEN) - XLIV. BROMIDE - XLV. IODIDES AND HALOGEN MIXTURES - XLVI. SERIAL DETERMINATION OF ORGANICALLY BOUND HALOGEN - XLVII. VOLATILE HALOGENATED HYDROCARBONS (CHLOROFORM, TRICHLORETHYLENE AND CARBON TETRACHLORIDE) - XLVIII. CARBON MONOXIDE - XLIX. A RAPID CLINICAL METHOD FOR CARBON MONOXIDE DETERMINATION - LI. TOTAL MOLECULAR CONCENTRATION IN FLUID SAMPLES OF ABOUT 3-4 MILLIGRAMS - LII. SEPARATION OF CRYSTALS AND' GUMS' BY MICRODIFFUSION - QUALITATIVE MICRO-DIFFUSION ANALYSIS - LIII. SOME CONSIDERATIONS ON QUALITATIVE MICRO-DIFFUSION ANALYSIS - PART III - THE ERROR OF VOLUMETRIC TITRATION - LIV. INTRODUCTORY - LV. THE VARIABLE GLASS ERROR - LVI. THE TOTAL VARIABLE GLASS ERROR AND ITS CONTROL - LVII. THE VARIABLE CHEMICAL ERROR IN TITRATION - LVIII. THE RATIONALE OF MICRO TITRATION - LIX. THE CONSTANT GLASS ERROR - LX. THE CONSTANT CHEMICAL ERROR - LXI. VOLUMETRIC ERROR IN KJELDAHL NITROGEN ANALYSES - LXIII. UREA EXCRETION AS RENAL FUNCTION TEST - Full TOC available on website

There is hardly a technical library in the world in which the volumes of the Chemical Formulary (Volumes 1-34) do not occupy a prominent place. It does not duplicate any of the formulas included in previous volumes, but lists a wide array of modern and salable products from all branches of the chemical industries. An excellent reference for formulation problems. - CONTENTS - I. Introduction - II. Adhesives - III. Beverages and Foods - IV. Cosmetics - V. Coatings - VI. Detergents - VII. Drugs - VIII. Polishes - IX. Elastomers, Polymers and Resins - X. Miscellaneous - Appendix - Trademark Chemicals - Trademark Chemicals Suppliers - Index - PREFACE - Chemistry, as taught in our schools and colleges, concerns chiefly synthesis, analysis, and engineering-and properly so. It is part of the right foundation for the education of the chemist. Many a chemist entering an Industry soon finds that most of the products manufactured by his concern are not synthetic or definite complex compounds, but are mixtures, blends, or highly complex compounds of which he knows little or nothing. The literature in this field, if any, may be meager, scattered, or obsolete. Even chemists with years of experience In one or more Industries spend conslderable time and effort in acquainting themselves with any new field which they may enter. Consulting chemists similarly have to solve problems brought to them from industries foreign to them. There was a definite need for an up-to-date compilation of formulae for chemical compounding and treatment. Since the fields to be covered are many and varied, an editorial board of chemists and engineers engaged in many industries was formed. Many publications, laboratories, manufacturing firms, and Individuals have been consulted to obtain the latest and best information. It is felt that the formulas given in this volume will save chemists and allied workers much time and effort.

This title is Volume 2 of a 2 Volume set. - Contents - PART 1. - COMPOUNDED WAXES - 1. GENERAL - Compatibility - Hardness - Melting Point - Penetration - Refractive Index - Solubility in Oil - Viscosity - 2. PARAFFIN WAX COMPOUNDS - 3. ETHYL CELLULOSE AND WAX MIXTURES - Compounding Ethyl Cellulose with Incompatible Substances - Methods of Preparing Mixtures of Waxes with Ethyl Cellulose - 4. COMPOSITIONS WITH RESINS AND RUBBER - Resin Wax Compositions - Compatibility of Varnish Resins with Waxes - Cumarone-Indene Resins and Wax Compositions - Methacrylate Resin Hot-Melt Blends - Microcrystalline Wax-Resin Blends - Wax-Rubber Compositions - 5. COMMERCIAL WAX ADDITIVES - PART 2 - WAX TECHNOLOGY - 6. TESTS AND TECHNIQUES - The Melting' Points of Waxes - Odor and Taste - Emulsions - Fluorescence of Waxes - Solubility of Waxes - Commercial Wax Solutions - Surface Tension of Waxes - Specific Gravity - Specific Heat of Petroleum Waxes - To Alter Properties of Paraffin Wax - Simple Tests - Identification of Mixed Waxes - Separation and Comparison of Properties - Detecting Wax Additives - Evaluation of Waxes for Paperboard - Determinations of Properties - Testing for Quality Control - Opacifying Waxes - Coloring Waxes - 7. INDUSTRIAL USES OF WAXES - Adhesives - Candles - Coatings - Cosmetics - Electrical Applications - Inks - Leather Goods - Paper Products - Pharmaceutical Preparations - Photomechanics - Plastics - Polishes - Pyrotechnics - Rubber - Textile Processing - Abbreviations - Alphabetic Listing of Trademark Products - Index -

Physically correct boundary conditions on vapor-liquid interfaces are essential in order to make an analysis of flows of a liquid including bubbles or of a gas including droplets. Suitable boundary conditions do not exist at the present time. This book is concerned with the kinetic boundary condition for both the plane and curved vapor-liquid interfaces, and the fluid dynamics boundary condition for Navier-Stokes(fluid dynamics) equations. The kinetic boundary condition is formulated on the basis of molecular dynamics simulations and the fluid dynamics boundary condition is derived by a perturbation analysis of Gaussian-BGK Boltzmann equation applicable to polyatomic gases. The fluid dynamics boundary condition is applied to actual flow problems of bubbles in a liquid and droplets in a gas.

A New Approach to HAZOP of Complex Chemical Processes provides practical methods to identify and categorize chemical process complexities systematically. The book follows a holistic assessment of risks and required safeguards which enables readers to define the boundaries of HAZOP 4.0 accurately. The book is written by authors who have decades of experience in advanced process monitoring and artificial intelligence to support HAZOP teams with a holistic dynamic simulation and multivariable monitoring of the complex systems, and to assess historical failure and accident data and information using artificial intelligence techniques in a user-friendly way.

This 6 volume set presents a groundbreaking resource in this branch of natural organic compounds and demonstrates how proton nuclear magnetic resonance (NMR) spectroscopy can be manipulated in structures of natural organic compounds. The book covers 17 kinds amounting to over 10,000 natural organic compounds. The 5th volume mainly illustrates the molecular formula and structures of triterpenoids, phenylpropanoids and steroids.

Green Sustainable Process for Chemical and Environmental Engineering and Science: Carbon Dioxide Capture and Utilization explores advanced technologies based on CO2 utilization. The book provides an overview on the conversion and utilization of CO2, extraction techniques, heterogeneous catalysis, green solvent, industrial approaches, and commodity products through energy-intensive processes. In addition, it highlights lifecycle assessment and biological and engineering strategies for CO2 utilization. Each chapter presents challenges in the processes and future perspectives for the application of CO2 conversion and utilization.

CONTENTS - INTRODUCTION - CHAPTER I: HYDROCARBONS - Benzene; Toluene; Xylene; Ethylbenzene; Cumene; Tetrahydronaphthalene; Decahydronaphthalene; Methylated naphthalenes; Coal tar solvent naphtha; Petroleum spirit; Benzine; White spirit; cycloHexane; Methylcyclohexane; Turpentine; Dipentene; cycloPentadiene; Dicyclopentadiene - CHAPTER II: CHLORINATED HYDROCARBONS - Methylene dichloride; Chloroform; Carbon tetrachloride; sym.-Dichloroethane; Tetrachloroethane; Pentachloroethane; Dichloroethylene; Trichloroethylene; Perchloroethylene; Propylene dichloride; Amyl chloride; Amylene dichloride; Monochlorobenzene; o-Dichlorobenzene - CHAPTER III: ALCOHOLS - Methyl alcohol; Wood spirit; Ethyl alcohol; n-Propyl alcohol; isoPropyl alcohol; n-Butyl alcohol; sec.-Butyl alcohol; isoButyl alcohol; tert.- Butyl alcohol; Amyl alcohol; Methylisobutylcarbinol; cycloHexanol; Methylcyclohexallo; Allyl alcohol; Benzyl alcohol; Diacetone alcohol; Ethylene chlorohydrin; Monochlorohydrin; Dichlorohydrin - CHAPTER IV: ETHERS - Ethyl ether; betabeta' -Dichloroethyl ether; isoPropyl ether; Propylene oxide; Dioxan; Methylal; Acetal; Paraldehyde - CHAPTER V: ESTERS - Methyl formate; Ethyl formate; n-Butyl formate; Amyl formate; Benzyl formate; Methyl acetate; Ethyl acetate; n-Propyl acetate; isoPropyl acetate; n-Butyl acetate; sec.-Butyl acetate; isoButyl acetate; Amyl acetate; sec.- Hexyl acetate; cycloHexyl acetate; Methylcyclohexyl acetate; Butoxyl; Benzyl acetate; n-Butyl propionate; Amyl propionate; n-Butyl butyrate; Methyl benzoate; Ethyl benzoate; Ethyl lactate; Butyl lactate; Amyl lactate; Ethyl hydroxyisobutyrate; Diethyl carbonate; Dialkyl carbonates; Diethyl oxalate - CHAPTER VI: KETONES - Acetone; Methyl acetone; Acetone oils; Methyl ethyl ketone; Methyl isobutyl ketone; Mesityl oxide; cycloHexanone; Methylcyclohexanone; Isophorone - CHAPTER VII: GLYCOLS AND THEIR DERIVATIVES - Ethylene glycol; Ethylene glycol mono-methyl ether; Ethylene glycol monoethyl ether; Ethylene glycol monoethylether monoacetate; Ethylene glycol diethyl ether; Ethylene glycol mono-n-butyl ether; Ethylene glycol monoacetate; Ethylene glycol diacetate; Diethylene glycol mono ethyl ether; Diethylene glycol mono-n-butyl ether; Diethylene glycol monoacetate; Dipropylene glycol - CHAPTER VIII: AMINES AND COAL TAR BASES - cycloHexylamine; Dicyclohexylamine; Ethanolamines; Pyridine; Picoline - CHAPTER IX: NITRO-COMPOUNDS - Nitromethane; Nitropropanes; Nitrobutanes; Nitrobenzene - CHAPTER X: MISCELLANEOUS COMPOUNDS - Carbon disulphide; Acetic acid; Acetic anhydride; Cresols; Dimethyl sulphate; Silicones and silane intermediates -

This book is a teaching aid as well as a practical guide for soil analysts. It is the result of twenty years of experience and study and analysis of soils. It is equally useful to the undergraduate, post-graduate student of soil sciences as well as for the research professional in the soil laboratory.

This books format follows an applications-oriented text and serves as a training tool for individuals in education and industry involved directly, or indirectly, with chemical reactors. It addresses both technical and calculational problems in this field. While this text can be complimented with texts on chemical kinetics and/or reactor design, it also stands alone as a self-teaching aid.

The first part serves as an introduction to the subject title and contains chapters dealing with history, process variables, basic operations, kinetic principles, and conversion variables. The second part of the book addresses traditional reactor analysis; chapter topics include batch, CSTRs, tubular flow reactors, plus a comparison of these classes of reactors. Part 3 keys on reactor applications that include non-ideal reactors: thermal effects, interpretation of kinetic data, and reactor design. The book concludes with other reactor topics; chapter titles include catalysis, catalytic reactors, other reactions and reactors, and ABET-related topics. An extensive Appendix is also included

Industrial and Process Furnaces: Principles, Design and Operation, Third Editioncontinues to provide comprehensive coverage on all aspects of furnace operation and design, including topics essential for process engineers and operators to better understand furnaces. New to this edition are sections on production, handling and utilization of alternative fuels such as biomass, hydrogen and various wastes, modeling of the process, combustion and heat transfer, their benefits, advantages and limitations, mitigation and removal of CO2 , the role of solar and other renewable energy, recent research, and the practical approach of the Whyalla steelworks for harnessing solar energy for sustainable steelmaking, hydrogen and as a "clean fuel". The book also includes a discussion on the limitations of hydrogen supply owing to fresh water supply constraints, the difficulty of storing and transporting hydrogen, and the current sociopolitical impetus of CO2.

"Nanotechnology" isa broad term that includes aspects of materials science, mesoscopicphysics, organicandinorganicchemistry, na- electronics, atmosphericchemistry, airpollution, and other?elds. The technology is very muchincurrent focus-at the beginning of the Third Millennium-and raises hopes for environmentally benign, resource-lean manufacturing of products of manykinds. One precursor to present-day nanotechnology used porous coatings, comprised of "ultra?ne" particles withdimensions inthe nanometer range, for absorption of thermal radiation on thermocouples, bolometers, and the like. These particles were prepared by gas-phase syntheses, speci?cally using species formed by nucleation andgrowth from a metalvapor - dergoing coolingby collisions withinert gas molecules. Such "inert gas evaporation" was explored inthe 1920s and 1930s see, for example, A.H. Pfund, Phys. Rev. 35 (1930) 1434]andwas investigated in moredetail in the 1960s and 1970s see, for example, K. Kimoto et al., Jpn. J. Appl. Phys. 2 (1963) 702; C.G. Granqvist and R.A. Buhrman, J. Appl. Phys.47 (1976) 2200]. Improved analytical capabilities(electron microscopy)as well as new applications (selective absorption of solar energy) were twoofthe r- sons for the renewed interest. Today, gas-phase synthesis of nanoparticles constitutesthe foundation for a pro?table butstill small industry. Aerosols, i.e., dispersions or suspensions of particles ina gas, form the background ?eld for contemporaryefforts in gas-phase nanotechnology. Interest inaerosol researchhistorically arose from the issues of atmospheric chemistry and physics, human health protection, and airpollution. Today, aerosol researchengagesa vast array of efforts inthese and related ?elds, andelsewherein work identi?ed as nanotechnology.

There exists great hope throughout the scientific community for the application of nanotechnologies to solve myriad technological and societal problems. Nanomaterials and nanoparticles exhibit unique properties which are now being explored for potential uses, as well as hazards. In September 2005 a NATO Advanced Research Workshop convened in Kiev to discuss the current state of the art in surface chemistry and nanomaterials research, with a view towards biomedical and environmental applications. This volume represents the fine work presented at this workshop, consisting of a unique mixture of reviews as well as primary research articles from leading laboratories in Eastern and Western Europe as well as the US.

A common theme throughout much of this volume involves adsorption and interfacial behavior of nanomaterials including core-shell particles, nanoparticles derived from oxides, mixed oxides, carbon, carbon/oxide hybrids, functionalized nanoparticles, polymeric biomaterials, and more. The behavior and design of these nanomaterials for adsorption (or sometimes the lack thereof) of toxins, pollutants, narcotics, warfare agents and various biomolecules are studied with a mix of experimental and theoretical approaches. This volume holds a special niche in describing the current state of the art in the fundamentals and applications of a variety of nanomaterials.

This title is Volume 1 of a 2 Volume set. - Contents - Introduction - Abbreviations - PART 1. NATURAL WAXES - 1. PARAFFIN WAX - Occurrence in Nature - Composition of Petroleum - Grades of Paraffin Wax - Manufacture of Paraffin Waxes - Composition of Paraffin Waxes - Properties of Paraffin Waxes - Wax-Oil Mixtures - Miscellaneous Data - Physical Properties of Some Commercial Waxes - 2. MICROCRYSTALLINE WAXES - Differences Between Microcrystalline and Paraffin Waxes - Fractional Crystallization of Petroleum Waxes - Properties of Microcrystalline Waxes - Oxidized Microcrystalline Waxes - Petrolatum - Uses of Microcrystalline Waxes - Miscellaneous Data - Properties of Some Commercial Microcrystalline Waxes - 3. OTHER MINERAL WAXES - Montan Wax - Lignite Wax - Ozocerite - Ceresin - Utah Wax - Peat Wax - 4. VEGETABLE WAXES - Bayberry - Candelilla - Carnauba - Cotton - Esparto - Fir - Japan - Ouricury - Palm - Rice-Oil - Sugar Cane - Ucuhuba - Cocoa Butter - 5. ANIMAL WAXES - Beeswax - Chinese Wax - Shellac Wax - Spermaceti - Wool Wax - PART 2. : SYNTHETIC WAXES 6. FATTY ALCOHOLS AND ACID - Cetyl Alcohol - Lanette Wax - Stearyl Alcohol - Stearic Acid - Palmitic Acid - Myristic Acid - 7. FATTY ACID ESTERS AND GLYCERIDES - Glyceryl Stearates - Glycol Fatty-Acid Stearates - Sorbitol Stearates - Polyethylene Glycol Stearates - Properties of Selected Commercial Products - 8. HYDROGENATED OILS - Properties of Selected Commercial Products - 9. KETONES, AMINES, AMIDES - Stearone, Laurone - Aliphatic Amines - Aliphatic Amides - Properties of Some Commercial Products - 10. CHLORONAPHTHALENES - 11. SYNTHETIC MINERAL WAXES - Fisher-Tropsch Waxes - Duroxon Waxes - 12. SYNTHETIC ANIMAL WAXES - Synthetic Beeswax - Modified Spermaceti Waxes - Modified Lanolin Waxes - 13. MISCELLANEOUS SYNTHETIC WAXES - Oxazoline - Experimental Waxes -