1. Elements of physical chemistry [2017]
- Book
- xxv, 626 pages : colour illustrations ; 27 cm
- FOCUS 1: THE PROPERTIES OF GASES-- FOCUS 2: THE FIRST LAW OF THERMODYNAMICS-- FOCUS 3: THE SECOND LAW OF THERMODYNAMICS-- FOCUS 4: PHYSICAL TRANSFORMATIONS-- FOCUS 5: CHEMICAL CHANGE-- FOCUS 6: CHEMICAL KINETICS-- FOCUS 7: QUANTUM THEORY-- FOCUS 8: ATOMIC STRUCTURE-- FOCUS 9: THE CHEMICAL BOND-- FOCUS 10: MOLECULAR INTERACTIONS-- FOCUS 11: MOLECULAR SPECTROSCOPY-- FOCUS 12: STATISTICAL THERMODYNAMICS-- FOCUS 13: MAGNETIC RESONANCE-- FOCUS 14: MACROMOLECULES AND AGGREGATES-- FOCUS 15: SOLIDS.
- (source: Nielsen Book Data)9780198727873 20170313
(source: Nielsen Book Data)9780198727873 20170313
- FOCUS 1: THE PROPERTIES OF GASES-- FOCUS 2: THE FIRST LAW OF THERMODYNAMICS-- FOCUS 3: THE SECOND LAW OF THERMODYNAMICS-- FOCUS 4: PHYSICAL TRANSFORMATIONS-- FOCUS 5: CHEMICAL CHANGE-- FOCUS 6: CHEMICAL KINETICS-- FOCUS 7: QUANTUM THEORY-- FOCUS 8: ATOMIC STRUCTURE-- FOCUS 9: THE CHEMICAL BOND-- FOCUS 10: MOLECULAR INTERACTIONS-- FOCUS 11: MOLECULAR SPECTROSCOPY-- FOCUS 12: STATISTICAL THERMODYNAMICS-- FOCUS 13: MAGNETIC RESONANCE-- FOCUS 14: MACROMOLECULES AND AGGREGATES-- FOCUS 15: SOLIDS.
- (source: Nielsen Book Data)9780198727873 20170313
(source: Nielsen Book Data)9780198727873 20170313
Science Library (Li and Ma)
Science Library (Li and Ma) | Status |
---|---|
Stacks | |
QD453.3 .A85 2017 | Unavailable In process Request |
2. Introduction to computational chemistry [2017]
- Book
- xxii, 638 pages : illustrations ; 25 cm
- Preface to the First Edition xv Preface to the Second Edition xix Preface to the Third Edition xxi 1 Introduction 1 1.1 Fundamental Issues 2 1.2 Describing the System 3 1.3 Fundamental Forces 3 1.4 The Dynamical Equation 5 1.5 Solving the Dynamical Equation 7 1.6 Separation of Variables 8 1.7 Classical Mechanics 11 1.8 Quantum Mechanics 13 1.9 Chemistry 18 References 19 2 Force Field Methods 20 2.1 Introduction 20 2.2 The Force Field Energy 21 2.3 Force Field Parameterization 53 2.4 Differences in Atomistic Force Fields 62 2.5 Water Models 66 2.6 Coarse Grained Force Fields 67 2.7 Computational Considerations 69 2.8 Validation of Force Fields 71 2.9 Practical Considerations 73 2.10 Advantages and Limitations of Force Field Methods 73 2.11 Transition Structure Modeling 74 2.12 Hybrid Force Field Electronic Structure Methods 78 References 82 3 Hartree Fock Theory 88 3.1 The Adiabatic and Born Oppenheimer Approximations 90 3.2 Hartree FockTheory 94 3.3 The Energy of a Slater Determinant 95 3.4 Koopmans Theorem 100 3.5 The Basis Set Approximation 101 3.6 An Alternative Formulation of the Variational Problem 105 3.7 Restricted and Unrestricted Hartree Fock 106 3.8 SCF Techniques 108 3.9 Periodic Systems 119 References 121 4 Electron Correlation Methods 124 4.1 Excited Slater Determinants 125 4.2 Configuration Interaction 128 4.3 Illustrating how CI Accounts for Electron Correlation, and the RHF Dissociation Problem 135 4.4 The UHF Dissociation and the Spin Contamination Problem 138 4.5 Size Consistency and Size Extensivity 142 4.6 Multiconfiguration Self-Consistent Field 143 4.7 Multireference Configuration Interaction 148 4.8 Many-Body Perturbation Theory 148 4.9 Coupled Cluster 157 4.10 Connections between Coupled Cluster, Configuration Interaction and Perturbation Theory 162 4.11 Methods Involving the Interelectronic Distance 166 4.12 Techniques for Improving the Computational Efficiency 169 4.13 Summary of Electron Correlation Methods 174 4.14 Excited States 176 4.15 Quantum Monte Carlo Methods 183 References 185 5 Basis Sets 188 5.1 Slater- and Gaussian-Type Orbitals 189 5.2 Classification of Basis Sets 190 5.3 Construction of Basis Sets 194 5.4 Examples of Standard Basis Sets 200 5.5 Plane Wave Basis Functions 208 5.6 Grid and Wavelet Basis Sets 210 5.7 Fitting Basis Sets 211 5.8 Computational Issues 211 5.9 Basis Set Extrapolation 212 5.10 Composite Extrapolation Procedures 215 5.11 Isogyric and Isodesmic Reactions 222 5.12 Effective Core Potentials 223 5.13 Basis Set Superposition and Incompleteness Errors 226 References 228 6 Density Functional Methods 233 6.1 Orbital-Free Density Functional Theory 234 6.2 Kohn Sham Theory 235 6.3 Reduced Density Matrix and Density Cumulant Methods 237 6.4 Exchange and Correlation Holes 241 6.5 Exchange Correlation Functionals 244 6.6 Performance of Density Functional Methods 258 6.7 Computational Considerations 260 6.8 Differences between Density Functional Theory and Hartree-Fock 262 6.9 Time-Dependent Density Functional Theory (TDDFT) 263 6.10 Ensemble Density Functional Theory 268 6.11 Density Functional Theory Problems 269 6.12 Final Considerations 269 References 270 7 Semi-empirical Methods 275 7.1 Neglect of Diatomic Differential Overlap (NDDO) Approximation 276 7.2 Intermediate Neglect of Differential Overlap (INDO) Approximation 277 7.3 Complete Neglect of Differential Overlap (CNDO) Approximation 277 7.4 Parameterization 278 7.5 Huckel Theory 283 7.6 Tight-Binding Density Functional Theory 285 7.7 Performance of Semi-empirical Methods 287 7.8 Advantages and Limitations of Semi-empirical Methods 289 References 290 8 Valence Bond Methods 291 8.1 Classical Valence Bond Theory 292 8.2 Spin-Coupled Valence Bond Theory 293 8.3 Generalized Valence Bond Theory 297 References 298 9 Relativistic Methods 299 9.1 The Dirac Equation 300 9.2 Connections between the Dirac and Schrodinger Equations 302 9.3 Many-Particle Systems 306 9.4 Four-Component Calculations 309 9.5 Two-Component Calculations 310 9.6 Relativistic Effects 313 References 315 10 Wave Function Analysis 317 10.1 Population Analysis Based on Basis Functions 317 10.2 Population Analysis Based on the Electrostatic Potential 320 10.3 Population Analysis Based on the Electron Density 323 10.4 Localized Orbitals 329 10.5 Natural Orbitals 333 10.6 Computational Considerations 337 10.7 Examples 338 References 339 11 Molecular Properties 341 11.1 Examples of Molecular Properties 343 11.2 Perturbation Methods 347 11.3 Derivative Techniques 349 11.4 Response and Propagator Methods 351 11.5 Lagrangian Techniques 351 11.6 Wave Function Response 353 11.7 Electric Field Perturbation 357 11.8 Magnetic Field Perturbation 358 11.9 Geometry Perturbations 367 11.10 Time-Dependent Perturbations 372 11.11 Rotational and Vibrational Corrections 377 11.12 Environmental Effects 378 11.13 Relativistic Corrections 378 References 378 12 Illustrating the Concepts 380 12.1 Geometry Convergence 380 12.2 Total Energy Convergence 383 12.3 Dipole Moment Convergence 385 12.4 Vibrational Frequency Convergence 386 12.5 Bond Dissociation Curves 389 12.6 Angle Bending Curves 394 12.7 Problematic Systems 396 12.8 Relative Energies of C4H6 Isomers 399 References 402 13 Optimization Techniques 404 13.1 Optimizing Quadratic Functions 405 13.2 Optimizing General Functions: Finding Minima 407 13.3 Choice of Coordinates 415 13.4 Optimizing General Functions: Finding Saddle Points (Transition Structures) 418 13.5 Constrained Optimizations 431 13.6 Global Minimizations and Sampling 433 13.7 Molecular Docking 440 13.8 Intrinsic Reaction Coordinate Methods 441 References 444 14 Statistical Mechanics and Transition State Theory 447 14.1 Transition State Theory 447 14.2 Rice Ramsperger Kassel Marcus Theory 450 14.3 Dynamical Effects 451 14.4 StatisticalMechanics 452 14.5 The Ideal Gas, Rigid-Rotor Harmonic-Oscillator Approximation 454 14.6 Condensed Phases 464 References 468 15 Simulation Techniques 469 15.1 Monte Carlo Methods 472 15.2 Time-Dependent Methods 474 15.3 Periodic Boundary Conditions 491 15.4 Extracting Information from Simulations 494 15.5 Free Energy Methods 499 15.6 Solvation Models 502 References 511 16 Qualitative Theories 515 16.1 Frontier Molecular Orbital Theory 515 16.2 Concepts from Density Functional Theory 519 16.3 Qualitative Molecular Orbital Theory 522 16.4 Energy Decomposition Analyses 524 16.5 Orbital Correlation Diagrams: TheWoodward Hoffmann Rules 526 16.6 The Bell Evans Polanyi Principle/Hammond Postulate/Marcus Theory 534 16.7 More O Ferrall Jencks Diagrams 538 References 541 17 Mathematical Methods 543 17.1 Numbers, Vectors, Matrices and Tensors 543 17.2 Change of Coordinate System 549 17.3 Coordinates, Functions, Functionals, Operators and Superoperators 560 17.3.1 Differential Operators 562 17.4 Normalization, Orthogonalization and Projection 563 17.5 Differential Equations 565 17.6 Approximating Functions 568 17.7 Fourier and Laplace Transformations 577 17.8 Surfaces 577 References 580 18 Statistics and QSAR 581 18.1 Introduction 581 18.2 Elementary Statistical Measures 583 18.3 Correlation between Two Sets of Data 585 18.4 Correlation between Many Sets of Data 588 18.5 Quantitative Structure Activity Relationships (QSAR) 595 18.6 Non-linear Correlation Methods 597 18.7 Clustering Methods 598 References 604 19 Concluding Remarks 605 Appendix A 608 Notation 608 Appendix B 614 The Variational Principle 614 The Hohenberg Kohn Theorems 615 The Adiabatic Connection Formula 616 Reference 617 Appendix C 618 Atomic Units 618 Appendix D 619 Z Matrix Construction 619 Appendix E 627 First and Second Quantization 627 References 628 Index 629.
- (source: Nielsen Book Data)9781118825990 20170327
(source: Nielsen Book Data)9781118825990 20170327
- Preface to the First Edition xv Preface to the Second Edition xix Preface to the Third Edition xxi 1 Introduction 1 1.1 Fundamental Issues 2 1.2 Describing the System 3 1.3 Fundamental Forces 3 1.4 The Dynamical Equation 5 1.5 Solving the Dynamical Equation 7 1.6 Separation of Variables 8 1.7 Classical Mechanics 11 1.8 Quantum Mechanics 13 1.9 Chemistry 18 References 19 2 Force Field Methods 20 2.1 Introduction 20 2.2 The Force Field Energy 21 2.3 Force Field Parameterization 53 2.4 Differences in Atomistic Force Fields 62 2.5 Water Models 66 2.6 Coarse Grained Force Fields 67 2.7 Computational Considerations 69 2.8 Validation of Force Fields 71 2.9 Practical Considerations 73 2.10 Advantages and Limitations of Force Field Methods 73 2.11 Transition Structure Modeling 74 2.12 Hybrid Force Field Electronic Structure Methods 78 References 82 3 Hartree Fock Theory 88 3.1 The Adiabatic and Born Oppenheimer Approximations 90 3.2 Hartree FockTheory 94 3.3 The Energy of a Slater Determinant 95 3.4 Koopmans Theorem 100 3.5 The Basis Set Approximation 101 3.6 An Alternative Formulation of the Variational Problem 105 3.7 Restricted and Unrestricted Hartree Fock 106 3.8 SCF Techniques 108 3.9 Periodic Systems 119 References 121 4 Electron Correlation Methods 124 4.1 Excited Slater Determinants 125 4.2 Configuration Interaction 128 4.3 Illustrating how CI Accounts for Electron Correlation, and the RHF Dissociation Problem 135 4.4 The UHF Dissociation and the Spin Contamination Problem 138 4.5 Size Consistency and Size Extensivity 142 4.6 Multiconfiguration Self-Consistent Field 143 4.7 Multireference Configuration Interaction 148 4.8 Many-Body Perturbation Theory 148 4.9 Coupled Cluster 157 4.10 Connections between Coupled Cluster, Configuration Interaction and Perturbation Theory 162 4.11 Methods Involving the Interelectronic Distance 166 4.12 Techniques for Improving the Computational Efficiency 169 4.13 Summary of Electron Correlation Methods 174 4.14 Excited States 176 4.15 Quantum Monte Carlo Methods 183 References 185 5 Basis Sets 188 5.1 Slater- and Gaussian-Type Orbitals 189 5.2 Classification of Basis Sets 190 5.3 Construction of Basis Sets 194 5.4 Examples of Standard Basis Sets 200 5.5 Plane Wave Basis Functions 208 5.6 Grid and Wavelet Basis Sets 210 5.7 Fitting Basis Sets 211 5.8 Computational Issues 211 5.9 Basis Set Extrapolation 212 5.10 Composite Extrapolation Procedures 215 5.11 Isogyric and Isodesmic Reactions 222 5.12 Effective Core Potentials 223 5.13 Basis Set Superposition and Incompleteness Errors 226 References 228 6 Density Functional Methods 233 6.1 Orbital-Free Density Functional Theory 234 6.2 Kohn Sham Theory 235 6.3 Reduced Density Matrix and Density Cumulant Methods 237 6.4 Exchange and Correlation Holes 241 6.5 Exchange Correlation Functionals 244 6.6 Performance of Density Functional Methods 258 6.7 Computational Considerations 260 6.8 Differences between Density Functional Theory and Hartree-Fock 262 6.9 Time-Dependent Density Functional Theory (TDDFT) 263 6.10 Ensemble Density Functional Theory 268 6.11 Density Functional Theory Problems 269 6.12 Final Considerations 269 References 270 7 Semi-empirical Methods 275 7.1 Neglect of Diatomic Differential Overlap (NDDO) Approximation 276 7.2 Intermediate Neglect of Differential Overlap (INDO) Approximation 277 7.3 Complete Neglect of Differential Overlap (CNDO) Approximation 277 7.4 Parameterization 278 7.5 Huckel Theory 283 7.6 Tight-Binding Density Functional Theory 285 7.7 Performance of Semi-empirical Methods 287 7.8 Advantages and Limitations of Semi-empirical Methods 289 References 290 8 Valence Bond Methods 291 8.1 Classical Valence Bond Theory 292 8.2 Spin-Coupled Valence Bond Theory 293 8.3 Generalized Valence Bond Theory 297 References 298 9 Relativistic Methods 299 9.1 The Dirac Equation 300 9.2 Connections between the Dirac and Schrodinger Equations 302 9.3 Many-Particle Systems 306 9.4 Four-Component Calculations 309 9.5 Two-Component Calculations 310 9.6 Relativistic Effects 313 References 315 10 Wave Function Analysis 317 10.1 Population Analysis Based on Basis Functions 317 10.2 Population Analysis Based on the Electrostatic Potential 320 10.3 Population Analysis Based on the Electron Density 323 10.4 Localized Orbitals 329 10.5 Natural Orbitals 333 10.6 Computational Considerations 337 10.7 Examples 338 References 339 11 Molecular Properties 341 11.1 Examples of Molecular Properties 343 11.2 Perturbation Methods 347 11.3 Derivative Techniques 349 11.4 Response and Propagator Methods 351 11.5 Lagrangian Techniques 351 11.6 Wave Function Response 353 11.7 Electric Field Perturbation 357 11.8 Magnetic Field Perturbation 358 11.9 Geometry Perturbations 367 11.10 Time-Dependent Perturbations 372 11.11 Rotational and Vibrational Corrections 377 11.12 Environmental Effects 378 11.13 Relativistic Corrections 378 References 378 12 Illustrating the Concepts 380 12.1 Geometry Convergence 380 12.2 Total Energy Convergence 383 12.3 Dipole Moment Convergence 385 12.4 Vibrational Frequency Convergence 386 12.5 Bond Dissociation Curves 389 12.6 Angle Bending Curves 394 12.7 Problematic Systems 396 12.8 Relative Energies of C4H6 Isomers 399 References 402 13 Optimization Techniques 404 13.1 Optimizing Quadratic Functions 405 13.2 Optimizing General Functions: Finding Minima 407 13.3 Choice of Coordinates 415 13.4 Optimizing General Functions: Finding Saddle Points (Transition Structures) 418 13.5 Constrained Optimizations 431 13.6 Global Minimizations and Sampling 433 13.7 Molecular Docking 440 13.8 Intrinsic Reaction Coordinate Methods 441 References 444 14 Statistical Mechanics and Transition State Theory 447 14.1 Transition State Theory 447 14.2 Rice Ramsperger Kassel Marcus Theory 450 14.3 Dynamical Effects 451 14.4 StatisticalMechanics 452 14.5 The Ideal Gas, Rigid-Rotor Harmonic-Oscillator Approximation 454 14.6 Condensed Phases 464 References 468 15 Simulation Techniques 469 15.1 Monte Carlo Methods 472 15.2 Time-Dependent Methods 474 15.3 Periodic Boundary Conditions 491 15.4 Extracting Information from Simulations 494 15.5 Free Energy Methods 499 15.6 Solvation Models 502 References 511 16 Qualitative Theories 515 16.1 Frontier Molecular Orbital Theory 515 16.2 Concepts from Density Functional Theory 519 16.3 Qualitative Molecular Orbital Theory 522 16.4 Energy Decomposition Analyses 524 16.5 Orbital Correlation Diagrams: TheWoodward Hoffmann Rules 526 16.6 The Bell Evans Polanyi Principle/Hammond Postulate/Marcus Theory 534 16.7 More O Ferrall Jencks Diagrams 538 References 541 17 Mathematical Methods 543 17.1 Numbers, Vectors, Matrices and Tensors 543 17.2 Change of Coordinate System 549 17.3 Coordinates, Functions, Functionals, Operators and Superoperators 560 17.3.1 Differential Operators 562 17.4 Normalization, Orthogonalization and Projection 563 17.5 Differential Equations 565 17.6 Approximating Functions 568 17.7 Fourier and Laplace Transformations 577 17.8 Surfaces 577 References 580 18 Statistics and QSAR 581 18.1 Introduction 581 18.2 Elementary Statistical Measures 583 18.3 Correlation between Two Sets of Data 585 18.4 Correlation between Many Sets of Data 588 18.5 Quantitative Structure Activity Relationships (QSAR) 595 18.6 Non-linear Correlation Methods 597 18.7 Clustering Methods 598 References 604 19 Concluding Remarks 605 Appendix A 608 Notation 608 Appendix B 614 The Variational Principle 614 The Hohenberg Kohn Theorems 615 The Adiabatic Connection Formula 616 Reference 617 Appendix C 618 Atomic Units 618 Appendix D 619 Z Matrix Construction 619 Appendix E 627 First and Second Quantization 627 References 628 Index 629.
- (source: Nielsen Book Data)9781118825990 20170327
(source: Nielsen Book Data)9781118825990 20170327
Science Library (Li and Ma)
Science Library (Li and Ma) | Status |
---|---|
Stacks | |
QD455.3 .E4 J46 2017 | Unavailable Ask at circulation desk |
- Book
- ix, 701 pages : illustrations ; 28 cm
- Interpretive tools
- States of matter
- Thermodynamics
- Physical properties determination
- Nonelectrolytes
- Electrolyte solutions
- Ionic equilibria
- Buffered and isotonic solutions
- Solubility and distribution phenomena
- Complexation and protein binding
- Diffusion
- Biopharmaceutics
- Drug release and dissolution
- Chemical kinetics and stability
- Interfacial phenomena
- Rheology
- Colloidal dispersions & nanotechnology
- Coarse dispersions
- Micromeritics
- Pharmaceutical biotechnology
- Pharmaceutical polymers
- Compounding
- Excipients
- Oral solid dosage forms
- Drug delivery systems and drug product design.
(source: Nielsen Book Data)9781451191455 20170213
- Interpretive tools
- States of matter
- Thermodynamics
- Physical properties determination
- Nonelectrolytes
- Electrolyte solutions
- Ionic equilibria
- Buffered and isotonic solutions
- Solubility and distribution phenomena
- Complexation and protein binding
- Diffusion
- Biopharmaceutics
- Drug release and dissolution
- Chemical kinetics and stability
- Interfacial phenomena
- Rheology
- Colloidal dispersions & nanotechnology
- Coarse dispersions
- Micromeritics
- Pharmaceutical biotechnology
- Pharmaceutical polymers
- Compounding
- Excipients
- Oral solid dosage forms
- Drug delivery systems and drug product design.
(source: Nielsen Book Data)9781451191455 20170213
Science Library (Li and Ma)
Science Library (Li and Ma) | Status |
---|---|
Stacks | |
RS403 .M34 2017 | Unknown |
4. Modern developments in catalysis [2017]
- Book
- xxvi, 320 pages : illustrations (some color) ; 24 cm
The UK Catalysis Hub is a consortium of universities working together on fundamental and applied research to find out how catalysts work and to improve their effectiveness. The contribution of catalysis to manufacturing contributes to almost 40% of global GDP, making development and innovation within the field integral to industry.Modern Developments in Catalysis provides a review of current research and practise on catalysis, focussing on five main themes: catalysis design, environmental catalysis, catalysis and energy, chemical transformation and biocatalysis and biotransformations. Topics range from complex reactions to the intricacies of catalyst preparation for supported nanoparticles, while chapters illustrate the challenges facing catalytic science and the directions in which the field is developing. Edited by leaders of the UK Hub, this book provides insight into one of the most important areas of modern chemistry - it represents a unique learning opportunity for students and professionals studying and working towards speeding-up, improving and increasing the rate of catalytic reactions in science and industry.
(source: Nielsen Book Data)9781786341211 20170213
(source: Nielsen Book Data)9781786341211 20170213
The UK Catalysis Hub is a consortium of universities working together on fundamental and applied research to find out how catalysts work and to improve their effectiveness. The contribution of catalysis to manufacturing contributes to almost 40% of global GDP, making development and innovation within the field integral to industry.Modern Developments in Catalysis provides a review of current research and practise on catalysis, focussing on five main themes: catalysis design, environmental catalysis, catalysis and energy, chemical transformation and biocatalysis and biotransformations. Topics range from complex reactions to the intricacies of catalyst preparation for supported nanoparticles, while chapters illustrate the challenges facing catalytic science and the directions in which the field is developing. Edited by leaders of the UK Hub, this book provides insight into one of the most important areas of modern chemistry - it represents a unique learning opportunity for students and professionals studying and working towards speeding-up, improving and increasing the rate of catalytic reactions in science and industry.
(source: Nielsen Book Data)9781786341211 20170213
(source: Nielsen Book Data)9781786341211 20170213
Science Library (Li and Ma)
Science Library (Li and Ma) | Status |
---|---|
Stacks | |
QD501 .M776654 2017 | Unknown |
5. Pathways to modern physical chemistry : an engineering approach with multidisciplinary applications [2017]
- Book
- xx, 405 pages : illustrations ; 24 cm
- Effect of a Primary Aromatic Amine on Properties and Structure of HDPE R. J. Deberdeev, V. V. Kurnosov, J. A. Sergeeva, and O. V. Stoyanov Critical Conversion of Crosslinked Epoxyamine Polymers T. R. Deberdeev, V. I. Irzhak, R. Y. Deberdeev, and O. V. Stoynov Deformation Electromagnetic Anisotropy of Various Physical States of Highly Cross-Linked Polymers N. V. Ulitin, T. R. Deberdeev, R. Y. Deberdeev, L. F. Nasibullina, and A. A. Berlin Polysulfide Oligomer Solidification Process V. S. Minkin, Y. N. Khakimullin, A. A. Idiyatova, Y. V. Minkina, and R. Y. Deberdeev Solidification of Polysulfide Hermetics Y. N. Khakimullin, R. R. Valyaev, L. Y. Gubaidullin, V. S. Minkin, O. V. Oshchepkov, A. G. Liakumovich, and R. Y. Deberdeev The Improvement of Adhesion Parameters of Neopren-Based Adhesive Compositions V. F. Kablov, N. A. Keybal, S. N. Bondarenko, and K. U. Rudenko Ultrasound Effect on the Joint Processing of Different Chemical Polymers I. A. Kirsh, T. I. Chalykh, and D. A. Pomogova Electrical Transport Properties of Poly(Aniline-Co-N-Phenylaniline) Copolymers A. D. Borkar Carbon Nanotubes: Update and New Pathways F. Raeisi, S. Poreskandar, S. Maghsoodlou, and A. K. Haghi Pathways in Producing Electrospun Nanofibers S. Poreskandar, F. Raeisi, S. Maghsoodlou, and A. K. Haghi A Detailed Review and Update on Nanofibers Production and Applications S. Poreskandar, F. Raeisi, S. Maghsoodlou, and A. K. Haghi Fiber Formation during Electrospinning Process: An Engineering Insight S. Poreskandar, F. Raeisi, S. Maghsoodlou, and A. K. Haghi Characteristics of Film and Nonwoven Fiber Materials Prepared from Polyurethane and Styrene Acrylonitrile S. G. Karpova, Y. A. Naumova, L. P. Lyusova, and A. A. Popov Generalized Kinetic of Biodegradation G. E. Zaikov, K. Z. Gumargalieva, I. G. Kalinina, M. I. Artsis, and L. A. Zimina Reaction of Telomerization of Ethylene and Trichloracetic Acid Ethyl Ester Nodar Chkhubianishvili and Lali Kristesashvili Synthesis and Spectral-Fluorescent Study of Protein Coatings on Magnetic Nanoparticles Using Carbocyanine Dyes P. G. Pronkin, A. V. Bychkova, O. N. Sorokina, A. S. Tatikolov, A. L. Kovarskii, and M. A. Rosenfeld Structure of Multilayer Thermal Shrink Films for Packaging R. M. Garipov, V. N. Serova, A. I. Zagidullin, A. I. Khasanov, and A. A. Efremova Molecular Nitrogen Fixation with Hydroperoxyl Radicals: A Theoretical and Quantum Chemical Study Ayodeji A. Ijagbuji, Elena V. Poshtareva, Alla N. Reisser, Vladimir V. Schwarzkopf, Tobenna C. Philips, Max B. Jefferey, Williams W. Mccarthy, and Ivan I. Zakharov Synthesis, Structure of New Phosphoryl Methyl Derivative Aminoacids and Their Membrane Transport Properties Related to Alkali Metals Sergey Alekseevich Koshkin, Airat Rizvanovich Garifzyanov, Natalia Viktorovna Davletshina, Rustam, Rifkhatovich Davletshin, Oleg Vladislavovich Stoyanov, and Rafael Askhatovich Cherkasov Thermodynamic Aspects of the Changes in the Electrical Conductivity of Polyethylene Filled Carbon Black Ninel N. Komova, Dimitry I. Zibin, and Gennady E. Zaikov Entropic and Spatial-Energy Interactions G. A. Korablev, V. I. Kodolov, and G. E. Zaikov.
- (source: Nielsen Book Data)9781771883221 20170117
(source: Nielsen Book Data)9781771883221 20170117
- Effect of a Primary Aromatic Amine on Properties and Structure of HDPE R. J. Deberdeev, V. V. Kurnosov, J. A. Sergeeva, and O. V. Stoyanov Critical Conversion of Crosslinked Epoxyamine Polymers T. R. Deberdeev, V. I. Irzhak, R. Y. Deberdeev, and O. V. Stoynov Deformation Electromagnetic Anisotropy of Various Physical States of Highly Cross-Linked Polymers N. V. Ulitin, T. R. Deberdeev, R. Y. Deberdeev, L. F. Nasibullina, and A. A. Berlin Polysulfide Oligomer Solidification Process V. S. Minkin, Y. N. Khakimullin, A. A. Idiyatova, Y. V. Minkina, and R. Y. Deberdeev Solidification of Polysulfide Hermetics Y. N. Khakimullin, R. R. Valyaev, L. Y. Gubaidullin, V. S. Minkin, O. V. Oshchepkov, A. G. Liakumovich, and R. Y. Deberdeev The Improvement of Adhesion Parameters of Neopren-Based Adhesive Compositions V. F. Kablov, N. A. Keybal, S. N. Bondarenko, and K. U. Rudenko Ultrasound Effect on the Joint Processing of Different Chemical Polymers I. A. Kirsh, T. I. Chalykh, and D. A. Pomogova Electrical Transport Properties of Poly(Aniline-Co-N-Phenylaniline) Copolymers A. D. Borkar Carbon Nanotubes: Update and New Pathways F. Raeisi, S. Poreskandar, S. Maghsoodlou, and A. K. Haghi Pathways in Producing Electrospun Nanofibers S. Poreskandar, F. Raeisi, S. Maghsoodlou, and A. K. Haghi A Detailed Review and Update on Nanofibers Production and Applications S. Poreskandar, F. Raeisi, S. Maghsoodlou, and A. K. Haghi Fiber Formation during Electrospinning Process: An Engineering Insight S. Poreskandar, F. Raeisi, S. Maghsoodlou, and A. K. Haghi Characteristics of Film and Nonwoven Fiber Materials Prepared from Polyurethane and Styrene Acrylonitrile S. G. Karpova, Y. A. Naumova, L. P. Lyusova, and A. A. Popov Generalized Kinetic of Biodegradation G. E. Zaikov, K. Z. Gumargalieva, I. G. Kalinina, M. I. Artsis, and L. A. Zimina Reaction of Telomerization of Ethylene and Trichloracetic Acid Ethyl Ester Nodar Chkhubianishvili and Lali Kristesashvili Synthesis and Spectral-Fluorescent Study of Protein Coatings on Magnetic Nanoparticles Using Carbocyanine Dyes P. G. Pronkin, A. V. Bychkova, O. N. Sorokina, A. S. Tatikolov, A. L. Kovarskii, and M. A. Rosenfeld Structure of Multilayer Thermal Shrink Films for Packaging R. M. Garipov, V. N. Serova, A. I. Zagidullin, A. I. Khasanov, and A. A. Efremova Molecular Nitrogen Fixation with Hydroperoxyl Radicals: A Theoretical and Quantum Chemical Study Ayodeji A. Ijagbuji, Elena V. Poshtareva, Alla N. Reisser, Vladimir V. Schwarzkopf, Tobenna C. Philips, Max B. Jefferey, Williams W. Mccarthy, and Ivan I. Zakharov Synthesis, Structure of New Phosphoryl Methyl Derivative Aminoacids and Their Membrane Transport Properties Related to Alkali Metals Sergey Alekseevich Koshkin, Airat Rizvanovich Garifzyanov, Natalia Viktorovna Davletshina, Rustam, Rifkhatovich Davletshin, Oleg Vladislavovich Stoyanov, and Rafael Askhatovich Cherkasov Thermodynamic Aspects of the Changes in the Electrical Conductivity of Polyethylene Filled Carbon Black Ninel N. Komova, Dimitry I. Zibin, and Gennady E. Zaikov Entropic and Spatial-Energy Interactions G. A. Korablev, V. I. Kodolov, and G. E. Zaikov.
- (source: Nielsen Book Data)9781771883221 20170117
(source: Nielsen Book Data)9781771883221 20170117
Science Library (Li and Ma)
Science Library (Li and Ma) | Status |
---|---|
Stacks | |
QD453.3 .P38 2017 | Unknown |
- Book
- xv, 170 pages : illustrations (some color) ; 24 cm
The application of ultrasound waves to chemical reactions - sonochemistry - has huge potential for innovation in eco-friendly and eco-efficient chemistry. Sonochemistry: New Opportunities for Green Chemistry first introduces the basics of ultrasonic waves and the history of sonochemistry before moving on to look at acoustic cavitation and the estimation of ultrasonic parameters. After this comes a discussion of the equipment needed for experimentation with sonochemistry. Finally there is an in-depth look at green sonochemistry in different fields of research, covering concepts such as new combinations of ultrasound with ionic liquids, microwave irradiation, enzyme combination, and sono-assisted electrochemistry. In conclusion, distinguished sonochemists from around the world share their opinions on the green sonochemistry, and their predictions in the field.Undergraduate and graduate students in chemistry, and practitioners of ultrasonic technology will gain a unique insight into the opportunities and challenges facing sonochemistry today in its theoretical and practical implementation.
(source: Nielsen Book Data)9781786341273 20170313
(source: Nielsen Book Data)9781786341273 20170313
The application of ultrasound waves to chemical reactions - sonochemistry - has huge potential for innovation in eco-friendly and eco-efficient chemistry. Sonochemistry: New Opportunities for Green Chemistry first introduces the basics of ultrasonic waves and the history of sonochemistry before moving on to look at acoustic cavitation and the estimation of ultrasonic parameters. After this comes a discussion of the equipment needed for experimentation with sonochemistry. Finally there is an in-depth look at green sonochemistry in different fields of research, covering concepts such as new combinations of ultrasound with ionic liquids, microwave irradiation, enzyme combination, and sono-assisted electrochemistry. In conclusion, distinguished sonochemists from around the world share their opinions on the green sonochemistry, and their predictions in the field.Undergraduate and graduate students in chemistry, and practitioners of ultrasonic technology will gain a unique insight into the opportunities and challenges facing sonochemistry today in its theoretical and practical implementation.
(source: Nielsen Book Data)9781786341273 20170313
(source: Nielsen Book Data)9781786341273 20170313
Science Library (Li and Ma)
Science Library (Li and Ma) | Status |
---|---|
Stacks | |
QD801 .C43 2017 | Unknown |
- Book
- 1 online resource (vi, 232 pages) : illustrations (some color).
8. Advances in chemical physics. Volume 159 [2016]
- Book
- 1 online resource
This volume of Advances in Chemical Physics is dedicated, by the contributors, to Moshe Shapiro, formerly Canada Research Chair in Quantum Control in the Department of Chemistry at the University of British Columbia and Jacques Mimran Professor of Chemical Physics at the Weizmann Institute, who passed away on December 3, 2013. It focuses primarily on the interaction of light with molecules, one of Moshe's longstanding scientific loves. However, the wide range of topics covered in this volume constitutes but a small part of Moshe's vast range of scientific interests, which are well documented in over 300 research publications and two books.
This volume of Advances in Chemical Physics is dedicated, by the contributors, to Moshe Shapiro, formerly Canada Research Chair in Quantum Control in the Department of Chemistry at the University of British Columbia and Jacques Mimran Professor of Chemical Physics at the Weizmann Institute, who passed away on December 3, 2013. It focuses primarily on the interaction of light with molecules, one of Moshe's longstanding scientific loves. However, the wide range of topics covered in this volume constitutes but a small part of Moshe's vast range of scientific interests, which are well documented in over 300 research publications and two books.
9. Advances in chemical physics. Volume 161 [2016]
- Book
- 1 online resource (xi, 554 pages).
- Contributors to Volume 161 ix Preface to the Series xi Structural Analysis by X-ray Intensity Angular Cross Correlations 1 Ruslan P. Kurta, Massimo Altarelli, and Ivan A. Vartanyants Spin Relaxation in Phase Space 41 Yuri P. Kalmykov, William T. Coffey, and Serguey V. Titov Diffusion in Crowded Solutions 277 George D. J. Phillies Distribution Function Approach to the Stability of Fluid Phases 359 John J. Kozak, Jaroslaw Piasecki, and Piotr Szymczak Coarse-Graining with the Relative Entropy 395 M. Scott Shell Entropy Theory of Polymer Glass-Formation in Variable Spatial Dimension 443 Wen-Sheng Xu, Jack F. Douglas, and Karl F. Freed Polyelectrolyte Complexation 499 Samanvaya Srivastava and Matthew V. Tirrell Index 545.
- (source: Nielsen Book Data)9781119290940 20170313
(source: Nielsen Book Data)9781119290940 20170313
- Contributors to Volume 161 ix Preface to the Series xi Structural Analysis by X-ray Intensity Angular Cross Correlations 1 Ruslan P. Kurta, Massimo Altarelli, and Ivan A. Vartanyants Spin Relaxation in Phase Space 41 Yuri P. Kalmykov, William T. Coffey, and Serguey V. Titov Diffusion in Crowded Solutions 277 George D. J. Phillies Distribution Function Approach to the Stability of Fluid Phases 359 John J. Kozak, Jaroslaw Piasecki, and Piotr Szymczak Coarse-Graining with the Relative Entropy 395 M. Scott Shell Entropy Theory of Polymer Glass-Formation in Variable Spatial Dimension 443 Wen-Sheng Xu, Jack F. Douglas, and Karl F. Freed Polyelectrolyte Complexation 499 Samanvaya Srivastava and Matthew V. Tirrell Index 545.
- (source: Nielsen Book Data)9781119290940 20170313
(source: Nielsen Book Data)9781119290940 20170313
- Book
- 1 online resource (xv, 294 pages) : illustrations (some color).
- Radiation-electron (free electron) elementary interaction.- Scattering of X-rays by distributions of free electrons.- Atoms and molecules.- X-ray absorption.- Low correlated systems: gases and dilute solutions.- Complex systems I: short-range correlations.- Complex systems II: arbitrary long-range correlations.- Crystals.- Application of kinematic diffraction.- Introduction to dynamical diffraction.
- (source: Nielsen Book Data)9783319195537 20160619
(source: Nielsen Book Data)9783319195537 20160619
- Radiation-electron (free electron) elementary interaction.- Scattering of X-rays by distributions of free electrons.- Atoms and molecules.- X-ray absorption.- Low correlated systems: gases and dilute solutions.- Complex systems I: short-range correlations.- Complex systems II: arbitrary long-range correlations.- Crystals.- Application of kinematic diffraction.- Introduction to dynamical diffraction.
- (source: Nielsen Book Data)9783319195537 20160619
(source: Nielsen Book Data)9783319195537 20160619
- Book
- 1 online resource (xvi, 318 p.) : ill. (some col.). Digital: text file; PDF.
- Electron-molecule cross sections and rates involving rotationally, vibrationally and electronically excited states.- Reactivity and relaxation of vibrationally/rotationally excited molecules with open shell atoms.- Formation of vibrationally and rotationally excited molecules during atom recombination on surfaces.- Collisional-radiative models for atomic plasmas.- Collisional-radiative models for molecular plasmas.- Kinetic and Monte Carlo approaches to solve Boltzmann equation for the electron energy distribution functions.- Non-equilibrium plasma kinetics under discharge and post-discharge conditions: coupling problems for low pressure and atmospheric cold plasmas.- Ion transport under strong fields.- PIC (Particle In Cell ) models for low-pressure plasmas.- Negative ion H- for fusion.- Non equilibrium plasma expansion through nozzles.
- (source: Nielsen Book Data)9781441981844 20160619
(source: Nielsen Book Data)9781441981844 20160619
- Electron-molecule cross sections and rates involving rotationally, vibrationally and electronically excited states.- Reactivity and relaxation of vibrationally/rotationally excited molecules with open shell atoms.- Formation of vibrationally and rotationally excited molecules during atom recombination on surfaces.- Collisional-radiative models for atomic plasmas.- Collisional-radiative models for molecular plasmas.- Kinetic and Monte Carlo approaches to solve Boltzmann equation for the electron energy distribution functions.- Non-equilibrium plasma kinetics under discharge and post-discharge conditions: coupling problems for low pressure and atmospheric cold plasmas.- Ion transport under strong fields.- PIC (Particle In Cell ) models for low-pressure plasmas.- Negative ion H- for fusion.- Non equilibrium plasma expansion through nozzles.
- (source: Nielsen Book Data)9781441981844 20160619
(source: Nielsen Book Data)9781441981844 20160619
- Book
- 1 online resource : illustrations.
- The Second Order Ehrenfest Method A Practical CASSCF Approach to Coupled Electron-Nuclear Dynamics.- Anchoring the Potential Energy Surface for the Br + H2O --> HBr + OH Reaction.-Isaiah Shavitt - Computational Chemistry Pioneer.-Comparison of one-dimensional and quasi-one-dimensional Hubbard models from the variational two-electron reduced-density-matrix method.-Steric and electrostatic effects on photoisomerization dynamics using QM/MM ab initio multiple spawning.-Theoretical Studies of the Excited States of p-Cyanophenylalanine and Comparisons with the Natural Amino Acids Phenylalanine and Tyrosine.-Singlet-Triplet Separations of Di-radicals Treated by the DEA/DIP-EOM-CCSD Methods.- Performance of Density Functionals for Computation of Core Electron Binding Energies in First-row Hydrides and Glycine.- Why Edge Inversion? Theoretical Characterization of the Bonding in the Transition States for Inversion in FnNH(3-n) and FnPH(3-n) (n=0-3).-Wave Function Analysis with Shavitt Graph Density in the Graphically Contracted Function Method.- Aspects of Size-extensivity in Unitary Group Adapted Multi-Reference Coupled Cluster Theories:The Role of Cumulant Decomposition of Spin-free Reduced Density Matrices.- Biconfluent Heun equation in quantum chemistry: Harmonium and related systems.-Spin-Orbit DFT with Analytic Gradients and Applications to Heavy Element Compounds.-Construction of complex STO-NG basis sets by the method of least squares and their applications.-Massively Parallel Spin-Orbit Configuration Interaction.-A comparison of singlet and triplet states for one- and two- dimensional graphene nanoribbons using multireference theory.-Atomic Three- and Four-Body Recurrence Formulas and Related Summations.-Effects of the second hydration shell on excited-state multiple proton transfer: Dynamics simulations of 7-azaindole:(H2O)1-5 clusters in the gas phase.-Heats of formation of the amino acids re-examined by means of W1-F12 and W2-F12 theories.-SDS: The 'static-dynamic-static' framework for strongly correlated electrons.-Trihalide cations MF3+, MCl3+ and MBr3+ , M=B, Al, Ga: Pseudo Jahn-Teller coupling, electronic spectra, and ionization potentials of MX3.-Finite-temperature full configuration interaction.-Mechanisms of f-f Hypersensitive Transition Intensities of Lanthanide Trihalide Molecules: A Spin-Orbit Configuration Interaction Study.-Loss of a C2Hn fragment from pyrene and circumcoronene.- Quantum chemical characterization of the X('A ), a(^3B ), A('B ) and B(2'A ) states of diiodomethylene and the enthalpies of formation of diiodomethylene, iodomethylene and iodomethylidyne.-A Hirshfeld interpretation of the charge, spin distribution and polarity of the dipole moment of the open shell (triplet sigma minus) phosphorous halides:PF and PCl.-Efficient evaluation of exchange integrals by means of Fourier transform of the 1/r operator and its numerical quadrature.- Anomeric Effects in Fluoro and Trifluoromethyl Piperidines: A Computational Study of Conformational Preferences and Hydration.-The Wuppertal Multireference Configuration Interaction (MRD-CI) Program System.-sigma-sigma and sigma-pi Pnicogen Bonds in Complexes H XP:PCX, for X = F, Cl, OH, NC, CN, CCH, CH , and H.-Unitary group approach to the many-electron correlation problem: Spin-dependent operators.
- (source: Nielsen Book Data)9783662481479 20160619
(source: Nielsen Book Data)9783662481479 20160619
- The Second Order Ehrenfest Method A Practical CASSCF Approach to Coupled Electron-Nuclear Dynamics.- Anchoring the Potential Energy Surface for the Br + H2O --> HBr + OH Reaction.-Isaiah Shavitt - Computational Chemistry Pioneer.-Comparison of one-dimensional and quasi-one-dimensional Hubbard models from the variational two-electron reduced-density-matrix method.-Steric and electrostatic effects on photoisomerization dynamics using QM/MM ab initio multiple spawning.-Theoretical Studies of the Excited States of p-Cyanophenylalanine and Comparisons with the Natural Amino Acids Phenylalanine and Tyrosine.-Singlet-Triplet Separations of Di-radicals Treated by the DEA/DIP-EOM-CCSD Methods.- Performance of Density Functionals for Computation of Core Electron Binding Energies in First-row Hydrides and Glycine.- Why Edge Inversion? Theoretical Characterization of the Bonding in the Transition States for Inversion in FnNH(3-n) and FnPH(3-n) (n=0-3).-Wave Function Analysis with Shavitt Graph Density in the Graphically Contracted Function Method.- Aspects of Size-extensivity in Unitary Group Adapted Multi-Reference Coupled Cluster Theories:The Role of Cumulant Decomposition of Spin-free Reduced Density Matrices.- Biconfluent Heun equation in quantum chemistry: Harmonium and related systems.-Spin-Orbit DFT with Analytic Gradients and Applications to Heavy Element Compounds.-Construction of complex STO-NG basis sets by the method of least squares and their applications.-Massively Parallel Spin-Orbit Configuration Interaction.-A comparison of singlet and triplet states for one- and two- dimensional graphene nanoribbons using multireference theory.-Atomic Three- and Four-Body Recurrence Formulas and Related Summations.-Effects of the second hydration shell on excited-state multiple proton transfer: Dynamics simulations of 7-azaindole:(H2O)1-5 clusters in the gas phase.-Heats of formation of the amino acids re-examined by means of W1-F12 and W2-F12 theories.-SDS: The 'static-dynamic-static' framework for strongly correlated electrons.-Trihalide cations MF3+, MCl3+ and MBr3+ , M=B, Al, Ga: Pseudo Jahn-Teller coupling, electronic spectra, and ionization potentials of MX3.-Finite-temperature full configuration interaction.-Mechanisms of f-f Hypersensitive Transition Intensities of Lanthanide Trihalide Molecules: A Spin-Orbit Configuration Interaction Study.-Loss of a C2Hn fragment from pyrene and circumcoronene.- Quantum chemical characterization of the X('A ), a(^3B ), A('B ) and B(2'A ) states of diiodomethylene and the enthalpies of formation of diiodomethylene, iodomethylene and iodomethylidyne.-A Hirshfeld interpretation of the charge, spin distribution and polarity of the dipole moment of the open shell (triplet sigma minus) phosphorous halides:PF and PCl.-Efficient evaluation of exchange integrals by means of Fourier transform of the 1/r operator and its numerical quadrature.- Anomeric Effects in Fluoro and Trifluoromethyl Piperidines: A Computational Study of Conformational Preferences and Hydration.-The Wuppertal Multireference Configuration Interaction (MRD-CI) Program System.-sigma-sigma and sigma-pi Pnicogen Bonds in Complexes H XP:PCX, for X = F, Cl, OH, NC, CN, CCH, CH , and H.-Unitary group approach to the many-electron correlation problem: Spin-dependent operators.
- (source: Nielsen Book Data)9783662481479 20160619
(source: Nielsen Book Data)9783662481479 20160619
13. Light-responsive nanostructured systems for applications in nanomedicine [electronic resource] [2016]
- Book
- 1 online resource (x, 263 p.) : ill. (some color). Digital: text file; PDF.
- Nanostructured systems for fluorescence imaging applications.- Luminescent silica nanoparticles for optical imaging.- Gold-based nanomaterials for applications in nanomedicine.- Core-shell polymer nanoparticles for photodynamic therapy of cancer.- Photoactivable surfaces for biomedical applications.- Up-converting nanoparticles for drug delivery.- Quantum dots for biomedical applications.- Engineered nanoconstructs for multimodal phototherapy.
- (source: Nielsen Book Data)9783319229416 20160619
(source: Nielsen Book Data)9783319229416 20160619
- Nanostructured systems for fluorescence imaging applications.- Luminescent silica nanoparticles for optical imaging.- Gold-based nanomaterials for applications in nanomedicine.- Core-shell polymer nanoparticles for photodynamic therapy of cancer.- Photoactivable surfaces for biomedical applications.- Up-converting nanoparticles for drug delivery.- Quantum dots for biomedical applications.- Engineered nanoconstructs for multimodal phototherapy.
- (source: Nielsen Book Data)9783319229416 20160619
(source: Nielsen Book Data)9783319229416 20160619
- Book
- 1 online resource (XXII, 297 p. 127 ill. in color.) : online resource. Digital: text file; PDF.
- Introduction Section I. Propagation of laminar spherical flames Chapter 1. Flame propagation. Theoretical approaches 1. Influence of chemically active additives on flame .velocity of rich H2 + air mixtures 2. Concentration limits of combustion in rich hydrogen-air mixtures in the presence of inhibitors 3. On the nature of an upper concentration limit of flame propagation in an H2 + air mixture References Chapter 2. Flame propagation by spark discharge initiation 4. Influence of inert additives on the time of formation of steady spherical flame front of mixtures of natural gas and isobutylene with oxygen under spark initiation 5. Influence of inert and active additives on the features of initiation and propagation of laminar spherical flames a t atmospheric pressure 6. Numerical investigation of effects of surface recombination and initiation for laminar hydrogen flames at atmospheric pressure 7. Investigation into regularities of lean hydrogen-air mixtures combustion at atmospheric pressure by means of high-speed cinematography References Chapter 3. Ignition and flame propagation in heated vessels 8. Investigation into thermal ignition in chain oxidation of hydrogen, natural gas, and isobutene by means of high-speed color cinematography 9. Investigation into spontaneous ignition of propane-air and n-pentane-air mixtures in heated vessel at atmospheric pressure by means of high-speed color cinematography 10. On the features of the negative temperature coefficient phenomenon in combustion of n-pentane-air mixtures 11. Investigation into spontaneous ignition of hydrogen-air mixtures in a heated reactor at atmospheric pressure by means of high-speed color cinematography References Chapter 4. Some features of kinetic mechanisms of gaseous combustion 12. Initiation of hydrogen flame by a local source 13. Various influence of active chemical additives on hydrogen and hydrocarbons combustion References Section 2. Unsteady gaseous combustion Chapter 1. Instabilities in gaseous combustion 1. Flame propagation regimes at combustion of lean hydrogen-air mixtures in the presence of additives at central spark initiation at atmospheric pressure 2. Cellular combustion at transition of spherical flame front to flat front at initiated ignition of methane-air, methane-oxygen and n-pentane-air mixtures 3. Establishment of some features of propagation of unstable flames by 3D optical spectroscopy and color speed cinematography 4. Acoustic instabi lities in hydrogen-air mixtures in the closed reactor at the central spark initiation References Chapter 2. Flame interaction with obstacles 5. Interaction of spherical flames of hydrogen-air and methane-air mixtures in the closed reactor at the central spark initiation with close-meshed obstacles 6. Interaction of laminar flames of methane-air mixtures with close-meshed spherical and planar obstacles in closed cylindrical reactor at spark discharge initiation 7. Non-steady propagation of single and counter flames in hydrogen-oxygen and natural gas-oxygen mixtures in closed cylindrical vessels at spark initiation in initially motionless gas 8. Penetration of flames of methane-oxygen mixtures through spherical and planar obstacles in closed cylindrical reactor 9. Interaction of laminar flames of natural gas-oxygen mixtures with planar obstacles, diffusers and confu sers References Section 3. Detonation limits in gaseous systems 1. Contemporary approaches to the description of supersonic combustion 2. Influence of an acoustic resonator on flame propagation regimes in spark initiated H2 combustion in cylindrical reactor in the vicinity of the lower detonation limit 3. Influence of small chemical additives on the velocity of detonation wave and the detonation limit in rich hydrogen mixtures References Section 4. The role of disperse phase in combustion processes Chapter 1. Phase formation in combustion and pyrolysis 1. Factors determ ining phase fo rmation in the heterogeneous chain oxidation of dichlorosilane at low pressures 2. Formation of liquid and solid dusty crystals in gas-phase combustion reactions by the example of dichlorosilane oxidation 3. Thermal decomposition of dichlorosilane. Formation of threadlike nanostructures of silicon and silicon carbide by means of the method of chemical vapor deposition References Chapter 2. Features of combustion of coal gas suspensions 4. Features of thermal ignition of coal gas suspensions, containing natural gas and oxygen 5. Thermal ignition of coal powders in the presence of natural gas, oxygen and chemically active ad ditives 6. Investigation into ignition of coal powders in the presence of oxygen and natural gas by means of high-speed cinematography 7. Suppression of ignition of coal powders in the presence of oxygen and natural gas with small additives of vapor of octadecafluorodecahydronaphthalene C10F18 References Final remarks Acknowledgements.
- (source: Nielsen Book Data)9783319259321 20160619
(source: Nielsen Book Data)9783319259321 20160619
- Introduction Section I. Propagation of laminar spherical flames Chapter 1. Flame propagation. Theoretical approaches 1. Influence of chemically active additives on flame .velocity of rich H2 + air mixtures 2. Concentration limits of combustion in rich hydrogen-air mixtures in the presence of inhibitors 3. On the nature of an upper concentration limit of flame propagation in an H2 + air mixture References Chapter 2. Flame propagation by spark discharge initiation 4. Influence of inert additives on the time of formation of steady spherical flame front of mixtures of natural gas and isobutylene with oxygen under spark initiation 5. Influence of inert and active additives on the features of initiation and propagation of laminar spherical flames a t atmospheric pressure 6. Numerical investigation of effects of surface recombination and initiation for laminar hydrogen flames at atmospheric pressure 7. Investigation into regularities of lean hydrogen-air mixtures combustion at atmospheric pressure by means of high-speed cinematography References Chapter 3. Ignition and flame propagation in heated vessels 8. Investigation into thermal ignition in chain oxidation of hydrogen, natural gas, and isobutene by means of high-speed color cinematography 9. Investigation into spontaneous ignition of propane-air and n-pentane-air mixtures in heated vessel at atmospheric pressure by means of high-speed color cinematography 10. On the features of the negative temperature coefficient phenomenon in combustion of n-pentane-air mixtures 11. Investigation into spontaneous ignition of hydrogen-air mixtures in a heated reactor at atmospheric pressure by means of high-speed color cinematography References Chapter 4. Some features of kinetic mechanisms of gaseous combustion 12. Initiation of hydrogen flame by a local source 13. Various influence of active chemical additives on hydrogen and hydrocarbons combustion References Section 2. Unsteady gaseous combustion Chapter 1. Instabilities in gaseous combustion 1. Flame propagation regimes at combustion of lean hydrogen-air mixtures in the presence of additives at central spark initiation at atmospheric pressure 2. Cellular combustion at transition of spherical flame front to flat front at initiated ignition of methane-air, methane-oxygen and n-pentane-air mixtures 3. Establishment of some features of propagation of unstable flames by 3D optical spectroscopy and color speed cinematography 4. Acoustic instabi lities in hydrogen-air mixtures in the closed reactor at the central spark initiation References Chapter 2. Flame interaction with obstacles 5. Interaction of spherical flames of hydrogen-air and methane-air mixtures in the closed reactor at the central spark initiation with close-meshed obstacles 6. Interaction of laminar flames of methane-air mixtures with close-meshed spherical and planar obstacles in closed cylindrical reactor at spark discharge initiation 7. Non-steady propagation of single and counter flames in hydrogen-oxygen and natural gas-oxygen mixtures in closed cylindrical vessels at spark initiation in initially motionless gas 8. Penetration of flames of methane-oxygen mixtures through spherical and planar obstacles in closed cylindrical reactor 9. Interaction of laminar flames of natural gas-oxygen mixtures with planar obstacles, diffusers and confu sers References Section 3. Detonation limits in gaseous systems 1. Contemporary approaches to the description of supersonic combustion 2. Influence of an acoustic resonator on flame propagation regimes in spark initiated H2 combustion in cylindrical reactor in the vicinity of the lower detonation limit 3. Influence of small chemical additives on the velocity of detonation wave and the detonation limit in rich hydrogen mixtures References Section 4. The role of disperse phase in combustion processes Chapter 1. Phase formation in combustion and pyrolysis 1. Factors determ ining phase fo rmation in the heterogeneous chain oxidation of dichlorosilane at low pressures 2. Formation of liquid and solid dusty crystals in gas-phase combustion reactions by the example of dichlorosilane oxidation 3. Thermal decomposition of dichlorosilane. Formation of threadlike nanostructures of silicon and silicon carbide by means of the method of chemical vapor deposition References Chapter 2. Features of combustion of coal gas suspensions 4. Features of thermal ignition of coal gas suspensions, containing natural gas and oxygen 5. Thermal ignition of coal powders in the presence of natural gas, oxygen and chemically active ad ditives 6. Investigation into ignition of coal powders in the presence of oxygen and natural gas by means of high-speed cinematography 7. Suppression of ignition of coal powders in the presence of oxygen and natural gas with small additives of vapor of octadecafluorodecahydronaphthalene C10F18 References Final remarks Acknowledgements.
- (source: Nielsen Book Data)9783319259321 20160619
(source: Nielsen Book Data)9783319259321 20160619
- Book
- 1 online resource (vi, 266 pages) : illustrations (some color).
- From the content: Preface
- Local random phase approximation with projected oscillator orbitals
- Orthogonality-constrained Hartree-Fock and perturbation theory for high-spin open-shell excited states
- On the non-integer number of particles in molecular system domains: treatment and description.-Spin contamination and noncollinearity in general complex Hartree-Fock wave functions.-Partial-wave decomposition of the ground-state wavefunction of the two-electron harmonium atom.-Use of graphics processing units for efficient evaluation of derivatives of exchange integrals by means of Fourier transformation.
- From the content: Preface
- Local random phase approximation with projected oscillator orbitals
- Orthogonality-constrained Hartree-Fock and perturbation theory for high-spin open-shell excited states
- On the non-integer number of particles in molecular system domains: treatment and description.-Spin contamination and noncollinearity in general complex Hartree-Fock wave functions.-Partial-wave decomposition of the ground-state wavefunction of the two-electron harmonium atom.-Use of graphics processing units for efficient evaluation of derivatives of exchange integrals by means of Fourier transformation.
- Book
- xx, 437 pages : illustrations ; 24 cm
- Preface Part One: Chemical Sciences Kinetics of Oxidation of Polyvinyl Alcohol by Ozone in Aqueous Solutions-- Yu. S. Zimin, G. G. Kutlugildina, and D. K. Zinnatullina Modification of Chitosan and Hyaluronic Acid To Obtain Substainable Hydrogels-- R. R. Vildanova, N. N. Sigaeva, O. S. Kukovinets, V. P. Volodina, L. V. Spirikhin, I. S. Zaidullin, and S. V. Kolesov Trends in Polymeric Gas Separation Membranes-- Inga A. Ronova, Alexander Alentiev, and Maria Bruma Investigation on the Cleaning Process of Gas Emissions-- R. R. Usmanova and G. E. Zaikov Trends in Polymer/Organoclay Nanocomposites-- G. V. Kozlov, G. E. Zaikov, and A. K. Mikitaev Synthesis of the Hybrid Metal-Polymer Nanocomposite-- S. Zh. Ozkan, G. P. Karpacheva, and I. S. Eremeev Control of Gas Exhausts of Flares in Synthetic Rubber Production-- R. R. Usmanova and G. E. Zaikov Oxidation of Polypropylene-Graphite Nanocomposites-- T. V. Monakhova, P. M. Nedorezova, S. V. Pol'shchikov, A. A. Popov, A. L. Margolin, and A. Ya. Gorenberg Nanomaterials: An Engineering Insight-- A. Afzali Part Two: Biochemical Sciences A Note on Advanced Genetic Engineering Methodology-- A.I. Beresnev, S. V. Kvach, G. G. Sivets, and A. I. Zinchenko Stability Factors of Herbaceous Ecosystems in a Biological Sense-- R. A. Afanas'ev A Case Study on Composing Plant-Microbial Association for Phytoremediation of Polluted Soil-- A. A. Fedorenchik, N. V. Melnikova, and Z. M. Aleschenkova A Case Study on Biological Activity of Perennial Grasses and Fiber Flax-- Genrietta E. Merzlaya and Michail O. Smirnov A Case Study in Precision Agrotechnologies-- Rafail A. Afanas'ev The Effect of Pre-Inoculation of Seeds by Cells of Bacteria-- Z. M. Kuramshina, J. V. Smirnova, and R. M. Khairullin Resuscitating Factors for Nonculturable Cells-- Yu. D. Pakhomov, L. P. Blinkova, O. V. Dmitrieva, O. S. Berdyugina, and N. N. Skorlupkina A Case Study on Application of Micro-Sized Particles for Biologically Active Compounds-- Lubov Kh. Komissarova and Vladimir S. Feofanov A Study on Antioxidant System of the Body-- N. N. Sazhina, I. N. Popov, and G. Levin Extraction and Comparative Characterization of Thermostable Protein Complexes-- D. Dzidzigiri, M. Rukhadze, I. Modebadze, N. Giorgobiani, L. Rusishvili, G. Mosidze, E. Tavdishvili, and E. Bakuradze Influence of Biological Factors in Different Agroecosystems-- Rafail A. AfanasEv and Genrietta Ye. Merzlaya Genetics of Plant Development-- Olga A. Opalko and Anatoly Iv. Opalko Index.
- (source: Nielsen Book Data)9781771881494 20160919
(source: Nielsen Book Data)9781771881494 20160919
- Preface Part One: Chemical Sciences Kinetics of Oxidation of Polyvinyl Alcohol by Ozone in Aqueous Solutions-- Yu. S. Zimin, G. G. Kutlugildina, and D. K. Zinnatullina Modification of Chitosan and Hyaluronic Acid To Obtain Substainable Hydrogels-- R. R. Vildanova, N. N. Sigaeva, O. S. Kukovinets, V. P. Volodina, L. V. Spirikhin, I. S. Zaidullin, and S. V. Kolesov Trends in Polymeric Gas Separation Membranes-- Inga A. Ronova, Alexander Alentiev, and Maria Bruma Investigation on the Cleaning Process of Gas Emissions-- R. R. Usmanova and G. E. Zaikov Trends in Polymer/Organoclay Nanocomposites-- G. V. Kozlov, G. E. Zaikov, and A. K. Mikitaev Synthesis of the Hybrid Metal-Polymer Nanocomposite-- S. Zh. Ozkan, G. P. Karpacheva, and I. S. Eremeev Control of Gas Exhausts of Flares in Synthetic Rubber Production-- R. R. Usmanova and G. E. Zaikov Oxidation of Polypropylene-Graphite Nanocomposites-- T. V. Monakhova, P. M. Nedorezova, S. V. Pol'shchikov, A. A. Popov, A. L. Margolin, and A. Ya. Gorenberg Nanomaterials: An Engineering Insight-- A. Afzali Part Two: Biochemical Sciences A Note on Advanced Genetic Engineering Methodology-- A.I. Beresnev, S. V. Kvach, G. G. Sivets, and A. I. Zinchenko Stability Factors of Herbaceous Ecosystems in a Biological Sense-- R. A. Afanas'ev A Case Study on Composing Plant-Microbial Association for Phytoremediation of Polluted Soil-- A. A. Fedorenchik, N. V. Melnikova, and Z. M. Aleschenkova A Case Study on Biological Activity of Perennial Grasses and Fiber Flax-- Genrietta E. Merzlaya and Michail O. Smirnov A Case Study in Precision Agrotechnologies-- Rafail A. Afanas'ev The Effect of Pre-Inoculation of Seeds by Cells of Bacteria-- Z. M. Kuramshina, J. V. Smirnova, and R. M. Khairullin Resuscitating Factors for Nonculturable Cells-- Yu. D. Pakhomov, L. P. Blinkova, O. V. Dmitrieva, O. S. Berdyugina, and N. N. Skorlupkina A Case Study on Application of Micro-Sized Particles for Biologically Active Compounds-- Lubov Kh. Komissarova and Vladimir S. Feofanov A Study on Antioxidant System of the Body-- N. N. Sazhina, I. N. Popov, and G. Levin Extraction and Comparative Characterization of Thermostable Protein Complexes-- D. Dzidzigiri, M. Rukhadze, I. Modebadze, N. Giorgobiani, L. Rusishvili, G. Mosidze, E. Tavdishvili, and E. Bakuradze Influence of Biological Factors in Different Agroecosystems-- Rafail A. AfanasEv and Genrietta Ye. Merzlaya Genetics of Plant Development-- Olga A. Opalko and Anatoly Iv. Opalko Index.
- (source: Nielsen Book Data)9781771881494 20160919
(source: Nielsen Book Data)9781771881494 20160919
Science Library (Li and Ma)
Science Library (Li and Ma) | Status |
---|---|
Stacks | |
QD455.5 .P494 2016 | Unknown |
- Book
- 1 online resource.
- Preface xi Foreword xvii List of Symbols xix 1 Introduction 1 1.1 Thermodynamic Quantities and their Interrelationships 5 1.1.1 General Thermodynamics 5 1.1.2 Solution Thermodynamics 15 Further Reading 37 2 Roasting of Sulfide Minerals 39 2.1 Methods of Roasting 40 2.2 Objectives 41 2.3 Chemistry of Roasting 42 2.4 Thermodynamics of Roasting 43 2.5 Kinetics of Roasting 47 2.6 Predominance Area Diagrams as a Useful Guide in Feed Preparation 51 2.7 Problems 53 References 68 3 Sulfide Smelting 71 3.1 Matte Smelting of Chalcopyrite 72 3.1.1 Flash Smelting 74 3.1.2 Submerged Tuyere Smelting 76 3.1.3 Matte Converting 76 3.1.4 Ausmelt/Isasmelt: Top Submerged Lancing (TSL) Technology 80 3.2 Matte Smelting of Galena 83 3.3 Matte Smelting of Nickel Sulfide 85 3.3.1 Theory of Direct Conversion of Molten Nickel Sulfide into Nickel 87 3.4 Continuous Converting 89 3.4.1 Noranda Continuous Converting Process 90 3.4.2 Outokumpu Flash Converting Process 90 3.4.3 Mitsubishi Continuous Converting Process 91 3.5 Direct Metal Extraction from Concentrates 92 3.5.1 Outokumpu Flash Smelting Process 93 3.5.2 Mitsubishi Process 94 3.6 Problems 96 References 100 4 Metallurgical Slag 103 4.1 Structure of Oxides 103 4.1.1 Role of Ion Dimension 104 4.1.2 Metal Oxygen Bonds 106 4.2 Structure of Slag 108 4.3 Properties of Slag 110 4.3.1 Basicity of Slag 110 4.3.2 Oxidizing Power of Slag 112 4.3.3 Sulfide Capacity of Slag 112 4.3.4 Electrical and Thermal Conductivity 113 4.3.5 Viscosity 113 4.3.6 Surface Tension 117 4.3.7 Diffusivity 117 4.4 Constitution of Metallurgical Slag 118 4.4.1 State of Oxidation of Slag 120 4.5 Slag Theories 125 4.5.1 Ionic Theories 126 4.5.2 Molecular Theory 130 4.6 Problems 131 References 143 5 Reduction of Oxides and Reduction Smelting 145 5.1 Reduction Methods 146 5.2 Thermodynamics of Reduction of Oxides 147 5.2.1 Metallothermic Reduction 148 5.2.2 Thermal Decomposition 154 5.2.3 Reduction with Carbon Monoxide 155 5.2.4 Reduction with Hydrogen 159 5.3 Kinetics of Reduction of Oxides 161 5.3.1 Chemical Reaction with Porous and Nonporous Product Film 162 5.4 Commercial Processes 170 5.4.1 Production of Iron 170 5.4.2 Production of Zinc 174 5.4.3 Production of Tungsten and Molybdenum 177 5.5 Problems 179 References 196 6 Interfacial Phenomena 199 6.1 Precipitation 201 6.2 Nucleation of Gas Bubbles in a Liquid Metal 205 6.2.1 Role of Interfaces in Slag Metal Reactions 208 6.3 Emulsion and Foam 209 6.4 Froth Flotation 211 6.5 Other Applications 213 6.6 Problems 214 References 230 7 Steelmaking 233 7.1 Steelmaking Processes 234 7.1.1 Bessemer Process 234 7.1.2 Open Hearth Process 235 7.1.3 Electric Arc Furnace (EAF) Process 236 7.1.4 Top-Blown Basic Oxygen Converter Process 236 7.1.5 Rotating Oxygen-Blown Converter Process 238 7.1.6 Bottom-Blown Oxygen Converter Process 239 7.1.7 Hybrid/Bath Agitated/Combined-Blown Process 240 7.2 Physicochemical Principles 242 7.2.1 Sulfur Reactions 242 7.2.2 Phosphorus Reactions 246 7.2.3 Silicon Reactions 250 7.2.4 Manganese Reactions 251 7.2.5 Carbon Reactions 253 7.2.6 Kinetics of Slag Metal Reactions 256 7.3 Pre-treatment of Hot Metal 261 7.3.1 External Desiliconization 262 7.3.2 External Desulfurization 262 7.3.3 External Dephosphorization 262 7.3.4 Simultaneous Removal of Sulfur and Phosphorus 263 7.4 Chemistry of Refining 264 7.4.1 Bessemer Process 264 7.4.2 Open Hearth Process 266 7.4.3 Electric Arc Furnace (EAF) Process 266 7.4.4 Top-Blown Basic Oxygen Converter Process 267 7.4.5 Rotating Oxygen-Blown Converter Process 272 7.4.6 Bottom-Blown Oxygen Converter Process 274 7.4.7 Hybrid/Bath Agitated/Combined-Blown Process 276 7.5 Problems 279 References 286 8 Secondary Steelmaking 289 8.1 Inert Gas Purging (IGP) 290 8.2 Ladle Furnace (LF) 291 8.3 Deoxidation 291 8.3.1 Choice of Deoxidizers 293 8.3.2 Complex Deoxidizers 294 8.3.3 Vacuum Deoxidation 299 8.3.4 Deoxidation Practice 299 8.3.5 Removal of Deoxidation Products 300 8.4 Stainless Steelmaking 301 8.4.1 Physicochemical Principles 302 8.4.2 Stainless Steelmaking Processes 305 8.5 Injection Metallurgy (IM) 307 8.6 Refining with Synthetic Slag 309 8.7 Vacuum Degassing 311 8.7.1 Nitrogen in Iron and Steel 312 8.7.2 Hydrogen in Iron and Steel 315 8.7.3 Vacuum Treatment of Steel 319 8.8 Problems 325 References 348 9 Role of Halides in Extraction of Metals 351 9.1 Preparation of Halides 354 9.1.1 Complex Fluoride Processes 354 9.1.2 Halogenation of Oxides 355 9.1.3 Halogenation of Ferro-Alloys 359 9.1.4 Crystallization from Aqueous Solution 360 9.2 Purification of Chlorides 362 9.2.1 Purification of Titanium Tetrachloride 363 9.2.2 Purification of Columbium Pentachloride 363 9.2.3 Purification of Vanadium Tetrachloride 363 9.3 Metal Production 364 9.3.1 Metallothermic Reduction 365 9.3.2 Fused Salt Electrolytic Process 369 9.4 Purification 369 9.4.1 Disproportionate Process 369 9.4.2 Iodide Process 370 9.5 Problems 370 References 380 10 Refining 383 10.1 Principle 384 10.2 Methods of Refining 384 10.2.1 Fire Refining 385 10.2.2 Metal Metal Refining 391 10.2.3 Metal Gas Refining 394 10.2.4 Miscellaneous Group 400 10.3 Ultra-purification 400 10.3.1 Zone Refining 400 10.3.2 Electro-transport 403 10.3.3 Iodide Decomposition 404 10.4 Refining along with Melting and Consolidation 409 10.5 Problems 410 References 420 11 Hydrometallurgy 423 11.1 Leaching 425 11.1.1 Leaching Methods 427 11.2 Breakdown of Refractory Minerals 431 11.2.1 Concentrated Sulfuric Acid Breakdown 432 11.2.2 Concentrated Alkali Breakdown 432 11.3 Physicochemical Aspects of Leaching 433 11.3.1 Thermodynamics of Aqueous Solutions 433 11.3.2 Stability Limit of Water 435 11.3.3 Potential-pH Diagrams 437 11.3.4 Electrochemical Phenomenon in Leaching 444 11.3.5 Kinetics of Leaching 448 11.4 Treatment of Leach Liquor 465 11.4.1 Chemical Precipitation 466 11.4.2 Fractional Crystallization 467 11.4.3 Ion Exchange 468 11.4.4 Solvent Extraction 476 11.5 Recovery of Metals from Leach Liquor 492 11.5.1 Precipitation of Metal Sulfides 492 11.5.2 Cementation 495 11.5.3 Gaseous Reduction 502 11.6 Problems 507 References 519 12 Electrometallurgy 523 12.1 Principle 525 12.1.1 Cell Potential 527 12.1.2 Discharge Potential 530 12.1.3 Current and Energy Efficiency 532 12.2 Applications 534 12.2.1 Electrowinning 534 12.2.2 Electrorefining 545 12.3 Problems 549 References 556 Appendixes 559 Index 585.
- (source: Nielsen Book Data)9781119078333 20170313
(source: Nielsen Book Data)9781119078333 20170313
- Preface xi Foreword xvii List of Symbols xix 1 Introduction 1 1.1 Thermodynamic Quantities and their Interrelationships 5 1.1.1 General Thermodynamics 5 1.1.2 Solution Thermodynamics 15 Further Reading 37 2 Roasting of Sulfide Minerals 39 2.1 Methods of Roasting 40 2.2 Objectives 41 2.3 Chemistry of Roasting 42 2.4 Thermodynamics of Roasting 43 2.5 Kinetics of Roasting 47 2.6 Predominance Area Diagrams as a Useful Guide in Feed Preparation 51 2.7 Problems 53 References 68 3 Sulfide Smelting 71 3.1 Matte Smelting of Chalcopyrite 72 3.1.1 Flash Smelting 74 3.1.2 Submerged Tuyere Smelting 76 3.1.3 Matte Converting 76 3.1.4 Ausmelt/Isasmelt: Top Submerged Lancing (TSL) Technology 80 3.2 Matte Smelting of Galena 83 3.3 Matte Smelting of Nickel Sulfide 85 3.3.1 Theory of Direct Conversion of Molten Nickel Sulfide into Nickel 87 3.4 Continuous Converting 89 3.4.1 Noranda Continuous Converting Process 90 3.4.2 Outokumpu Flash Converting Process 90 3.4.3 Mitsubishi Continuous Converting Process 91 3.5 Direct Metal Extraction from Concentrates 92 3.5.1 Outokumpu Flash Smelting Process 93 3.5.2 Mitsubishi Process 94 3.6 Problems 96 References 100 4 Metallurgical Slag 103 4.1 Structure of Oxides 103 4.1.1 Role of Ion Dimension 104 4.1.2 Metal Oxygen Bonds 106 4.2 Structure of Slag 108 4.3 Properties of Slag 110 4.3.1 Basicity of Slag 110 4.3.2 Oxidizing Power of Slag 112 4.3.3 Sulfide Capacity of Slag 112 4.3.4 Electrical and Thermal Conductivity 113 4.3.5 Viscosity 113 4.3.6 Surface Tension 117 4.3.7 Diffusivity 117 4.4 Constitution of Metallurgical Slag 118 4.4.1 State of Oxidation of Slag 120 4.5 Slag Theories 125 4.5.1 Ionic Theories 126 4.5.2 Molecular Theory 130 4.6 Problems 131 References 143 5 Reduction of Oxides and Reduction Smelting 145 5.1 Reduction Methods 146 5.2 Thermodynamics of Reduction of Oxides 147 5.2.1 Metallothermic Reduction 148 5.2.2 Thermal Decomposition 154 5.2.3 Reduction with Carbon Monoxide 155 5.2.4 Reduction with Hydrogen 159 5.3 Kinetics of Reduction of Oxides 161 5.3.1 Chemical Reaction with Porous and Nonporous Product Film 162 5.4 Commercial Processes 170 5.4.1 Production of Iron 170 5.4.2 Production of Zinc 174 5.4.3 Production of Tungsten and Molybdenum 177 5.5 Problems 179 References 196 6 Interfacial Phenomena 199 6.1 Precipitation 201 6.2 Nucleation of Gas Bubbles in a Liquid Metal 205 6.2.1 Role of Interfaces in Slag Metal Reactions 208 6.3 Emulsion and Foam 209 6.4 Froth Flotation 211 6.5 Other Applications 213 6.6 Problems 214 References 230 7 Steelmaking 233 7.1 Steelmaking Processes 234 7.1.1 Bessemer Process 234 7.1.2 Open Hearth Process 235 7.1.3 Electric Arc Furnace (EAF) Process 236 7.1.4 Top-Blown Basic Oxygen Converter Process 236 7.1.5 Rotating Oxygen-Blown Converter Process 238 7.1.6 Bottom-Blown Oxygen Converter Process 239 7.1.7 Hybrid/Bath Agitated/Combined-Blown Process 240 7.2 Physicochemical Principles 242 7.2.1 Sulfur Reactions 242 7.2.2 Phosphorus Reactions 246 7.2.3 Silicon Reactions 250 7.2.4 Manganese Reactions 251 7.2.5 Carbon Reactions 253 7.2.6 Kinetics of Slag Metal Reactions 256 7.3 Pre-treatment of Hot Metal 261 7.3.1 External Desiliconization 262 7.3.2 External Desulfurization 262 7.3.3 External Dephosphorization 262 7.3.4 Simultaneous Removal of Sulfur and Phosphorus 263 7.4 Chemistry of Refining 264 7.4.1 Bessemer Process 264 7.4.2 Open Hearth Process 266 7.4.3 Electric Arc Furnace (EAF) Process 266 7.4.4 Top-Blown Basic Oxygen Converter Process 267 7.4.5 Rotating Oxygen-Blown Converter Process 272 7.4.6 Bottom-Blown Oxygen Converter Process 274 7.4.7 Hybrid/Bath Agitated/Combined-Blown Process 276 7.5 Problems 279 References 286 8 Secondary Steelmaking 289 8.1 Inert Gas Purging (IGP) 290 8.2 Ladle Furnace (LF) 291 8.3 Deoxidation 291 8.3.1 Choice of Deoxidizers 293 8.3.2 Complex Deoxidizers 294 8.3.3 Vacuum Deoxidation 299 8.3.4 Deoxidation Practice 299 8.3.5 Removal of Deoxidation Products 300 8.4 Stainless Steelmaking 301 8.4.1 Physicochemical Principles 302 8.4.2 Stainless Steelmaking Processes 305 8.5 Injection Metallurgy (IM) 307 8.6 Refining with Synthetic Slag 309 8.7 Vacuum Degassing 311 8.7.1 Nitrogen in Iron and Steel 312 8.7.2 Hydrogen in Iron and Steel 315 8.7.3 Vacuum Treatment of Steel 319 8.8 Problems 325 References 348 9 Role of Halides in Extraction of Metals 351 9.1 Preparation of Halides 354 9.1.1 Complex Fluoride Processes 354 9.1.2 Halogenation of Oxides 355 9.1.3 Halogenation of Ferro-Alloys 359 9.1.4 Crystallization from Aqueous Solution 360 9.2 Purification of Chlorides 362 9.2.1 Purification of Titanium Tetrachloride 363 9.2.2 Purification of Columbium Pentachloride 363 9.2.3 Purification of Vanadium Tetrachloride 363 9.3 Metal Production 364 9.3.1 Metallothermic Reduction 365 9.3.2 Fused Salt Electrolytic Process 369 9.4 Purification 369 9.4.1 Disproportionate Process 369 9.4.2 Iodide Process 370 9.5 Problems 370 References 380 10 Refining 383 10.1 Principle 384 10.2 Methods of Refining 384 10.2.1 Fire Refining 385 10.2.2 Metal Metal Refining 391 10.2.3 Metal Gas Refining 394 10.2.4 Miscellaneous Group 400 10.3 Ultra-purification 400 10.3.1 Zone Refining 400 10.3.2 Electro-transport 403 10.3.3 Iodide Decomposition 404 10.4 Refining along with Melting and Consolidation 409 10.5 Problems 410 References 420 11 Hydrometallurgy 423 11.1 Leaching 425 11.1.1 Leaching Methods 427 11.2 Breakdown of Refractory Minerals 431 11.2.1 Concentrated Sulfuric Acid Breakdown 432 11.2.2 Concentrated Alkali Breakdown 432 11.3 Physicochemical Aspects of Leaching 433 11.3.1 Thermodynamics of Aqueous Solutions 433 11.3.2 Stability Limit of Water 435 11.3.3 Potential-pH Diagrams 437 11.3.4 Electrochemical Phenomenon in Leaching 444 11.3.5 Kinetics of Leaching 448 11.4 Treatment of Leach Liquor 465 11.4.1 Chemical Precipitation 466 11.4.2 Fractional Crystallization 467 11.4.3 Ion Exchange 468 11.4.4 Solvent Extraction 476 11.5 Recovery of Metals from Leach Liquor 492 11.5.1 Precipitation of Metal Sulfides 492 11.5.2 Cementation 495 11.5.3 Gaseous Reduction 502 11.6 Problems 507 References 519 12 Electrometallurgy 523 12.1 Principle 525 12.1.1 Cell Potential 527 12.1.2 Discharge Potential 530 12.1.3 Current and Energy Efficiency 532 12.2 Applications 534 12.2.1 Electrowinning 534 12.2.2 Electrorefining 545 12.3 Problems 549 References 556 Appendixes 559 Index 585.
- (source: Nielsen Book Data)9781119078333 20170313
(source: Nielsen Book Data)9781119078333 20170313
- Book
- 1 online resource (viii, 398 pages).
- Book
- xix, 807 pages, 96 variously numbered pages : color illustrations ; 29 cm
- 1. Matter, Measurement, and Problem Solving 2. Atoms and Elements 3. Molecules, Compounds, and Chemical Equations 4. Chemical Quantities and Aqueous Reactions 5. Gases 6. Thermochemistry 7. The Quantum-Mechanical Model of the Atom 8. Periodic Properties of the Elements 9. Chemical Bonding I: The Lewis Model 10. Chemical Bonding II: Molecular Shapes, Valence Bond Theory, and Molecular Orbital Theory 11. Liquids, Solids, and Intermolecular Forces 12. Solutions 13. Chemical Kinetics 14. Chemical Equilibrium 15. Acids and Bases 16. Aqueous ionic Equilibrium 17. Free Energy and Thermodynamics 18. Electrochemistry 19. Radioactivity and Nuclear Chemistry Appendix I. Common Mathematical Operations in Chemistry Appendix II. Useful Data Appendix III. Answers to Selected Exercises Appendix IV. Answers to In-Chapter Practice Problems.
- (source: Nielsen Book Data)9780321971166 20160618
(source: Nielsen Book Data)9780321971166 20160618
NOTE: You are purchasing a standalone product; MasteringA&P does not come packaged with this content. If you would like to purchase both the physical text and MasteringA&P search for ISBN-10: 0321971167/ISBN-13: 9780321971166. That package includes ISBN-10: 0321971949/ISBN-13: 99780321971944 and ISBN-10: 0133890686/ISBN-13: 9780133890686. A relevant, problem-solving approach to chemistry The Third Edition of Principles of Chemistry: A Molecular Approachpresents core concepts without sacrificing rigor, enabling students to make connections between chemistry and their lives or intended careers. Drawing upon his classroom experience as an award-winning educator, Professor Tro extends chemistry to the student's world by capturing student attention with examples of everyday processes and a captivating writing style. Throughout this student-friendly text, chemistry is presented visually through multi-level images that help students see the connections between the world around them (macroscopic), the atoms and molecules that compose the world (molecular), and the formulas they write down on paper (symbolic). The Third Edition improves upon the hallmark features of the text and adds new assets-Self Assessment Quizzes, Interactive Worked Examples, and Key Concept Videos-creating the best learning resource available for general chemistry students. Also Available with MasteringChemistry This title is also available with MasteringChemistry - an online homework, tutorial, and assessment program designed to work with this text to engage students and improve results. Within its structured environment, students practice what they learn, test their understanding, and pursue a personalized study plan that helps them better absorb course material and understand difficult concepts. Students, if interested in purchasing this title with MasteringChemistry, ask your instructor for the correct package ISBN and Course ID. Instructors, contact your Pearson representative for more information.
(source: Nielsen Book Data)9780321971944 20160618
- 1. Matter, Measurement, and Problem Solving 2. Atoms and Elements 3. Molecules, Compounds, and Chemical Equations 4. Chemical Quantities and Aqueous Reactions 5. Gases 6. Thermochemistry 7. The Quantum-Mechanical Model of the Atom 8. Periodic Properties of the Elements 9. Chemical Bonding I: The Lewis Model 10. Chemical Bonding II: Molecular Shapes, Valence Bond Theory, and Molecular Orbital Theory 11. Liquids, Solids, and Intermolecular Forces 12. Solutions 13. Chemical Kinetics 14. Chemical Equilibrium 15. Acids and Bases 16. Aqueous ionic Equilibrium 17. Free Energy and Thermodynamics 18. Electrochemistry 19. Radioactivity and Nuclear Chemistry Appendix I. Common Mathematical Operations in Chemistry Appendix II. Useful Data Appendix III. Answers to Selected Exercises Appendix IV. Answers to In-Chapter Practice Problems.
- (source: Nielsen Book Data)9780321971166 20160618
(source: Nielsen Book Data)9780321971166 20160618
NOTE: You are purchasing a standalone product; MasteringA&P does not come packaged with this content. If you would like to purchase both the physical text and MasteringA&P search for ISBN-10: 0321971167/ISBN-13: 9780321971166. That package includes ISBN-10: 0321971949/ISBN-13: 99780321971944 and ISBN-10: 0133890686/ISBN-13: 9780133890686. A relevant, problem-solving approach to chemistry The Third Edition of Principles of Chemistry: A Molecular Approachpresents core concepts without sacrificing rigor, enabling students to make connections between chemistry and their lives or intended careers. Drawing upon his classroom experience as an award-winning educator, Professor Tro extends chemistry to the student's world by capturing student attention with examples of everyday processes and a captivating writing style. Throughout this student-friendly text, chemistry is presented visually through multi-level images that help students see the connections between the world around them (macroscopic), the atoms and molecules that compose the world (molecular), and the formulas they write down on paper (symbolic). The Third Edition improves upon the hallmark features of the text and adds new assets-Self Assessment Quizzes, Interactive Worked Examples, and Key Concept Videos-creating the best learning resource available for general chemistry students. Also Available with MasteringChemistry This title is also available with MasteringChemistry - an online homework, tutorial, and assessment program designed to work with this text to engage students and improve results. Within its structured environment, students practice what they learn, test their understanding, and pursue a personalized study plan that helps them better absorb course material and understand difficult concepts. Students, if interested in purchasing this title with MasteringChemistry, ask your instructor for the correct package ISBN and Course ID. Instructors, contact your Pearson representative for more information.
(source: Nielsen Book Data)9780321971944 20160618
Science Library (Li and Ma)
Science Library (Li and Ma) | Status |
---|---|
Stacks | |
QD453.3 .T76 2016 | Unknown |
QD453.3 .T76 2016 | Unknown |
QD453.3 .T76 2016 | Unknown |
QD453.3 .T76 2016 | Unknown |
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