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Continuum solvation models in chemical physics [[electronic resource] ] : from theory to applications / / edited by Benedetta Mennucci and Roberto Cammi
| Continuum solvation models in chemical physics [[electronic resource] ] : from theory to applications / / edited by Benedetta Mennucci and Roberto Cammi |
| Pubbl/distr/stampa | Chichester, England ; ; Hoboken, NJ, : John Wiley & Sons, c2007 |
| Descrizione fisica | 1 online resource (643 p.) |
| Disciplina |
541.34
541/.34 |
| Altri autori (Persone) |
MennucciBenedetta
CammiRoberto |
| Soggetto topico |
Solvation
Chemistry, Physical and theoretical |
| Soggetto genere / forma | Electronic books. |
| ISBN |
1-281-31815-9
9786611318154 0-470-51523-6 0-470-51522-8 |
| Formato | Materiale a stampa  |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
Continuum Solvation Models in Chemical Physics; Contents; Contributors; Preface; 1 Modern Theories of Continuum Models; 1.1 The Physical Model (Jacopo Tomasi); 1.2 Integral Equation Approaches for Continuum Models (Eric Cancès); 1.3 Cavity Surfaces and their Discretization (Christian Silvio Pomelli); 1.4 A Lagrangian Formulation for Continuum Models (Marco Caricato, Giovanni Scalmani and Michael J. Frisch); 1.5 The Quantum Mechanical Formulation of Continuum Models (Roberto Cammi); 1.6 Nonlocal Solvation Theories (Michail V. Basilevsky and Gennady N. Chuev)
1.7 Continuum Models for Excited States (Benedetta Mennucci)2 Properties and Spectroscopies; 2.1 Computational Modelling of the Solvent-Solute Effect on NMR Molecular Parameters by a Polarizable Continuum Model (Joanna Sadlej and Magdalena Pecul); 2.2 EPR Spectra of Organic Free Radicals in Solution from an Integrated Computational Approach (Vincenzo Barone, Paola Cimino and Michele Pavone); 2.3 Continuum Solvation Approaches to Vibrational Properties (Chiara Cappelli); 2.4 Vibrational Circular Dichroism (Philip J. Stephens and Frank J. Devlin) 2.5 Solvent Effects on Natural Optical Activity (Magdalena Pecul and Kenneth Ruud)2.6 Raman Optical Activity (Werner Hug); 2.7 Macroscopic Nonlinear Optical Properties from Cavity Models (Roberto Cammi and Benedetta Mennucci); 2.8 Birefringences in Liquids (Antonio Rizzo); 2.9 Anisotropic Fluids (Alberta Ferrarini); 2.10 Homogeneous and Heterogeneous Solvent Models for Nonlinear Optical Properties (Hans Ågren and Kurt V. Mikkelsen); 2.11 Molecules at Surfaces and Interfaces (Stefano Corni and Luca Frediani); 3 Chemical Reactivity in the Ground and the Excited State 3.1 First and Second Derivatives of the Free Energy in Solution (Maurizio Cossi and Nadia Rega)3.2 Solvent Effects in Chemical Equilibria (Ignacio Soteras, Damián Blanco, Oscar Huertas, Axel Bidon-Chanal and F. Javier Luque); 3.3 Transition State Theory and Chemical Reaction Dynamics in Solution (Donald G. Truhlar and Josefredo R. Pliego Jr.); 3.4 Solvation Dynamics (Branka M. Ladanyi); 3.5 The Role of Solvation in Electron Transfer: Theoretical and Computational Aspects (Marshall D. Newton) 3.6 Electron-driven Proton Transfer Processes in the Solvation of Excited States (Wolfgang Domcke and Andrzej L. Sobolewski)3.7 Nonequilibrium Solvation and Conical Intersections (Damien Laage, Irene Burghardt and James T. Hynes); 3.8 Photochemistry in Condensed Phase (Maurizio Persico and Giovanni Granucci); 3.9 Excitation Energy Transfer and the Role of the Refractive Index (Vanessa M. Huxter and Gregory D. Scholes); 3.10 Modelling Solvent Effects in Photoinduced Energy and Electron Transfers: the Electronic Coupling (Carles Curutchet); 4 Beyond the Continuum Approach 4.1 Conformational Sampling in Solution (Modesto Orozco, Ivan Marchán and Ignacio Soteras) |
| Record Nr. | UNINA-9910144262803321 |
| Chichester, England ; ; Hoboken, NJ, : John Wiley & Sons, c2007 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Continuum solvation models in chemical physics [[electronic resource] ] : from theory to applications / / edited by Benedetta Mennucci and Roberto Cammi
| Continuum solvation models in chemical physics [[electronic resource] ] : from theory to applications / / edited by Benedetta Mennucci and Roberto Cammi |
| Pubbl/distr/stampa | Chichester, England ; ; Hoboken, NJ, : John Wiley & Sons, c2007 |
| Descrizione fisica | 1 online resource (643 p.) |
| Disciplina |
541.34
541/.34 |
| Altri autori (Persone) |
MennucciBenedetta
CammiRoberto |
| Soggetto topico |
Solvation
Chemistry, Physical and theoretical |
| ISBN |
1-281-31815-9
9786611318154 0-470-51523-6 0-470-51522-8 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
Continuum Solvation Models in Chemical Physics; Contents; Contributors; Preface; 1 Modern Theories of Continuum Models; 1.1 The Physical Model (Jacopo Tomasi); 1.2 Integral Equation Approaches for Continuum Models (Eric Cancès); 1.3 Cavity Surfaces and their Discretization (Christian Silvio Pomelli); 1.4 A Lagrangian Formulation for Continuum Models (Marco Caricato, Giovanni Scalmani and Michael J. Frisch); 1.5 The Quantum Mechanical Formulation of Continuum Models (Roberto Cammi); 1.6 Nonlocal Solvation Theories (Michail V. Basilevsky and Gennady N. Chuev)
1.7 Continuum Models for Excited States (Benedetta Mennucci)2 Properties and Spectroscopies; 2.1 Computational Modelling of the Solvent-Solute Effect on NMR Molecular Parameters by a Polarizable Continuum Model (Joanna Sadlej and Magdalena Pecul); 2.2 EPR Spectra of Organic Free Radicals in Solution from an Integrated Computational Approach (Vincenzo Barone, Paola Cimino and Michele Pavone); 2.3 Continuum Solvation Approaches to Vibrational Properties (Chiara Cappelli); 2.4 Vibrational Circular Dichroism (Philip J. Stephens and Frank J. Devlin) 2.5 Solvent Effects on Natural Optical Activity (Magdalena Pecul and Kenneth Ruud)2.6 Raman Optical Activity (Werner Hug); 2.7 Macroscopic Nonlinear Optical Properties from Cavity Models (Roberto Cammi and Benedetta Mennucci); 2.8 Birefringences in Liquids (Antonio Rizzo); 2.9 Anisotropic Fluids (Alberta Ferrarini); 2.10 Homogeneous and Heterogeneous Solvent Models for Nonlinear Optical Properties (Hans Ågren and Kurt V. Mikkelsen); 2.11 Molecules at Surfaces and Interfaces (Stefano Corni and Luca Frediani); 3 Chemical Reactivity in the Ground and the Excited State 3.1 First and Second Derivatives of the Free Energy in Solution (Maurizio Cossi and Nadia Rega)3.2 Solvent Effects in Chemical Equilibria (Ignacio Soteras, Damián Blanco, Oscar Huertas, Axel Bidon-Chanal and F. Javier Luque); 3.3 Transition State Theory and Chemical Reaction Dynamics in Solution (Donald G. Truhlar and Josefredo R. Pliego Jr.); 3.4 Solvation Dynamics (Branka M. Ladanyi); 3.5 The Role of Solvation in Electron Transfer: Theoretical and Computational Aspects (Marshall D. Newton) 3.6 Electron-driven Proton Transfer Processes in the Solvation of Excited States (Wolfgang Domcke and Andrzej L. Sobolewski)3.7 Nonequilibrium Solvation and Conical Intersections (Damien Laage, Irene Burghardt and James T. Hynes); 3.8 Photochemistry in Condensed Phase (Maurizio Persico and Giovanni Granucci); 3.9 Excitation Energy Transfer and the Role of the Refractive Index (Vanessa M. Huxter and Gregory D. Scholes); 3.10 Modelling Solvent Effects in Photoinduced Energy and Electron Transfers: the Electronic Coupling (Carles Curutchet); 4 Beyond the Continuum Approach 4.1 Conformational Sampling in Solution (Modesto Orozco, Ivan Marchán and Ignacio Soteras) |
| Record Nr. | UNINA-9910830865203321 |
| Chichester, England ; ; Hoboken, NJ, : John Wiley & Sons, c2007 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Continuum solvation models in chemical physics : from theory to applications / / edited by Benedetta Mennucci and Roberto Cammi
| Continuum solvation models in chemical physics : from theory to applications / / edited by Benedetta Mennucci and Roberto Cammi |
| Pubbl/distr/stampa | Chichester, England ; ; Hoboken, NJ, : John Wiley & Sons, c2007 |
| Descrizione fisica | 1 online resource (643 p.) |
| Disciplina | 541/.34 |
| Altri autori (Persone) |
MennucciBenedetta
CammiRoberto |
| Soggetto topico |
Solvation
Chemistry, Physical and theoretical |
| ISBN |
1-281-31815-9
9786611318154 0-470-51523-6 0-470-51522-8 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
Continuum Solvation Models in Chemical Physics; Contents; Contributors; Preface; 1 Modern Theories of Continuum Models; 1.1 The Physical Model (Jacopo Tomasi); 1.2 Integral Equation Approaches for Continuum Models (Eric Cancès); 1.3 Cavity Surfaces and their Discretization (Christian Silvio Pomelli); 1.4 A Lagrangian Formulation for Continuum Models (Marco Caricato, Giovanni Scalmani and Michael J. Frisch); 1.5 The Quantum Mechanical Formulation of Continuum Models (Roberto Cammi); 1.6 Nonlocal Solvation Theories (Michail V. Basilevsky and Gennady N. Chuev)
1.7 Continuum Models for Excited States (Benedetta Mennucci)2 Properties and Spectroscopies; 2.1 Computational Modelling of the Solvent-Solute Effect on NMR Molecular Parameters by a Polarizable Continuum Model (Joanna Sadlej and Magdalena Pecul); 2.2 EPR Spectra of Organic Free Radicals in Solution from an Integrated Computational Approach (Vincenzo Barone, Paola Cimino and Michele Pavone); 2.3 Continuum Solvation Approaches to Vibrational Properties (Chiara Cappelli); 2.4 Vibrational Circular Dichroism (Philip J. Stephens and Frank J. Devlin) 2.5 Solvent Effects on Natural Optical Activity (Magdalena Pecul and Kenneth Ruud)2.6 Raman Optical Activity (Werner Hug); 2.7 Macroscopic Nonlinear Optical Properties from Cavity Models (Roberto Cammi and Benedetta Mennucci); 2.8 Birefringences in Liquids (Antonio Rizzo); 2.9 Anisotropic Fluids (Alberta Ferrarini); 2.10 Homogeneous and Heterogeneous Solvent Models for Nonlinear Optical Properties (Hans Ågren and Kurt V. Mikkelsen); 2.11 Molecules at Surfaces and Interfaces (Stefano Corni and Luca Frediani); 3 Chemical Reactivity in the Ground and the Excited State 3.1 First and Second Derivatives of the Free Energy in Solution (Maurizio Cossi and Nadia Rega)3.2 Solvent Effects in Chemical Equilibria (Ignacio Soteras, Damián Blanco, Oscar Huertas, Axel Bidon-Chanal and F. Javier Luque); 3.3 Transition State Theory and Chemical Reaction Dynamics in Solution (Donald G. Truhlar and Josefredo R. Pliego Jr.); 3.4 Solvation Dynamics (Branka M. Ladanyi); 3.5 The Role of Solvation in Electron Transfer: Theoretical and Computational Aspects (Marshall D. Newton) 3.6 Electron-driven Proton Transfer Processes in the Solvation of Excited States (Wolfgang Domcke and Andrzej L. Sobolewski)3.7 Nonequilibrium Solvation and Conical Intersections (Damien Laage, Irene Burghardt and James T. Hynes); 3.8 Photochemistry in Condensed Phase (Maurizio Persico and Giovanni Granucci); 3.9 Excitation Energy Transfer and the Role of the Refractive Index (Vanessa M. Huxter and Gregory D. Scholes); 3.10 Modelling Solvent Effects in Photoinduced Energy and Electron Transfers: the Electronic Coupling (Carles Curutchet); 4 Beyond the Continuum Approach 4.1 Conformational Sampling in Solution (Modesto Orozco, Ivan Marchán and Ignacio Soteras) |
| Record Nr. | UNINA-9910877627403321 |
| Chichester, England ; ; Hoboken, NJ, : John Wiley & Sons, c2007 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Hydrothermal experimental data [[electronic resource] /] / edited by Vladimir M. Valyashko
| Hydrothermal experimental data [[electronic resource] /] / edited by Vladimir M. Valyashko |
| Pubbl/distr/stampa | Chichester, West Sussex, : Wiley, c2008 |
| Descrizione fisica | 1 online resource (309 p.) |
| Disciplina |
541.3416
541/.34 551.23 |
| Altri autori (Persone) | Vali⁻ŁashkoV. M (Vladimir Mikhaĭlovich) |
| Soggetto topico |
High temperature chemistry
Solution (Chemistry) Phase rule and equilibrium Materials - Thermal properties |
| Soggetto genere / forma | Electronic books. |
| ISBN |
1-282-68654-2
9786612686542 0-470-09467-2 0-470-09466-4 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
Hydrothermal Experimental Data; Contents; CD Table of Contents; Foreword; Preface; Acknowledgements; 1: Phase Equilibria in Binary and Ternary Hydrothermal Systems; 1.1 INTRODUCTION; 1.2 EXPERIMENTAL METHODS FOR STUDYING HYDROTHERMAL PHASE EQUILIBRIA; 1.2.1 Methods of visual observation; 1.2.2 Methods of sampling; 1.2.3 Methods of quenching; 1.2.4 Indirect methods; 1.3 PHASE EQUILIBRIA IN BINARY SYSTEMS; 1.3.1 Main types of fluid phase behavior; 1.3.2 Classification of complete phase diagrams; 1.3.3 Graphical representation and experimental examples of binary phase diagrams
1.4 PHASE EQUILIBRIA IN TERNARY SYSTEMS1.4.1 Graphical representation of ternary phase diagrams; 1.4.2 Derivation and classification of ternary phase diagrams; REFERENCES; 2: pVTx Properties of Hydrothermal Systems; 2.1 BASIC PRINCIPLES AND DEFINITIONS; 2.2 EXPERIMENTAL METHODS; 2.2.1 Constant volume piezometers (CVP); 2.2.2 Variable volume piezometers (VVP); 2.2.3 Hydrostatic weighing technique (HWT); 2.2.4 Vibrating tube densimeter (VTD); 2.2.5 Synthetic fluid inclusion technique; 2.3 THEORETICAL TREATMENT OF pVTx DATA; 2.3.1 Excess volume; 2.3.2 Models for the standard partial molar volume 2.4 pVTx DATA FOR HYDROTHERMAL SYSTEMS2.4.1 Laboratory activities; 2.4.2 Summary table; REFERENCES; 3: High Temperature Potentiometry; 3.1 INTRODUCTION; 3.1.1 Reference electrodes; 3.1.2 Indicator electrodes; 3.1.3 Diffusion, thermal diffusion, thermoelectric, and streaming potentials; 3.1.4 Reference and buffer solutions; 3.2 EXPERIMENTAL METHODS; 3.2.1 Hydrogen-electrode concentration cell; 3.2.2 Flow-through conventional potentiometric cells; 3.3 DATA TREATMENT; REFERENCES; 4: Electrical Conductivity in Hydrothermal Binary and Ternary Systems; 4.1 INTRODUCTION 4.2 BASIC PRINCIPLES AND DEFINITIONS4.3 EXPERIMENTAL METHODS; 4.3.1 Static high temperature and pressure conductivity cells; 4.3.2 Flow-through conductivity cell; 4.3.3 Measurement procedure; 4.4 DATA TREATMENT; 4.4.1 Dissociated electrolytes; 4.4.2 Associated electrolytes; 4.4.3 Getting information from electrical conductivity data; 4.5 GENERAL TRENDS; 4.5.1 Specific conductivity as a function of temperature, concentration and density; 4.5.2 The limiting molar conductivity; 4.5.3 Concentration dependence of the molar conductivity and association constants 4.5.4 Molar conductivity as a function of temperature and density4.5.5 Conductivity in ternary systems; REFERENCES; 5: Thermal Conductivity; 5.1 INTRODUCTION; 5.2 EXPERIMENTAL TECHNIQUES; 5.2.1 Parallel-plate technique; 5.2.2 Coaxial-cylinder technique; 5.2.3 Transient hot-wire technique; 5.2.4 Conclusion; 5.3 AVAILABLE EXPERIMENTAL DATA; 5.3.1 Temperature dependence; 5.3.2 Pressure dependence; 5.3.3 Concentration dependence; 5.4 DISCUSSION OF EXPERIMENTAL DATA; REFERENCES; 6: Viscosity; 6.1 INTRODUCTION; 6.2 EXPERIMENTAL TECHNIQUES; 6.2.1 Capillary-flow technique 6.2.2 Oscillating-disk technique |
| Record Nr. | UNINA-9910144351003321 |
| Chichester, West Sussex, : Wiley, c2008 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Hydrothermal experimental data [[electronic resource] /] / edited by Vladimir M. Valyashko
| Hydrothermal experimental data [[electronic resource] /] / edited by Vladimir M. Valyashko |
| Pubbl/distr/stampa | Chichester, West Sussex, : Wiley, c2008 |
| Descrizione fisica | 1 online resource (309 p.) |
| Disciplina |
541.3416
541/.34 551.23 |
| Altri autori (Persone) | Vali⁻ŁashkoV. M (Vladimir Mikhaĭlovich) |
| Soggetto topico |
High temperature chemistry
Solution (Chemistry) Phase rule and equilibrium Materials - Thermal properties |
| ISBN |
1-282-68654-2
9786612686542 0-470-09467-2 0-470-09466-4 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
Hydrothermal Experimental Data; Contents; CD Table of Contents; Foreword; Preface; Acknowledgements; 1: Phase Equilibria in Binary and Ternary Hydrothermal Systems; 1.1 INTRODUCTION; 1.2 EXPERIMENTAL METHODS FOR STUDYING HYDROTHERMAL PHASE EQUILIBRIA; 1.2.1 Methods of visual observation; 1.2.2 Methods of sampling; 1.2.3 Methods of quenching; 1.2.4 Indirect methods; 1.3 PHASE EQUILIBRIA IN BINARY SYSTEMS; 1.3.1 Main types of fluid phase behavior; 1.3.2 Classification of complete phase diagrams; 1.3.3 Graphical representation and experimental examples of binary phase diagrams
1.4 PHASE EQUILIBRIA IN TERNARY SYSTEMS1.4.1 Graphical representation of ternary phase diagrams; 1.4.2 Derivation and classification of ternary phase diagrams; REFERENCES; 2: pVTx Properties of Hydrothermal Systems; 2.1 BASIC PRINCIPLES AND DEFINITIONS; 2.2 EXPERIMENTAL METHODS; 2.2.1 Constant volume piezometers (CVP); 2.2.2 Variable volume piezometers (VVP); 2.2.3 Hydrostatic weighing technique (HWT); 2.2.4 Vibrating tube densimeter (VTD); 2.2.5 Synthetic fluid inclusion technique; 2.3 THEORETICAL TREATMENT OF pVTx DATA; 2.3.1 Excess volume; 2.3.2 Models for the standard partial molar volume 2.4 pVTx DATA FOR HYDROTHERMAL SYSTEMS2.4.1 Laboratory activities; 2.4.2 Summary table; REFERENCES; 3: High Temperature Potentiometry; 3.1 INTRODUCTION; 3.1.1 Reference electrodes; 3.1.2 Indicator electrodes; 3.1.3 Diffusion, thermal diffusion, thermoelectric, and streaming potentials; 3.1.4 Reference and buffer solutions; 3.2 EXPERIMENTAL METHODS; 3.2.1 Hydrogen-electrode concentration cell; 3.2.2 Flow-through conventional potentiometric cells; 3.3 DATA TREATMENT; REFERENCES; 4: Electrical Conductivity in Hydrothermal Binary and Ternary Systems; 4.1 INTRODUCTION 4.2 BASIC PRINCIPLES AND DEFINITIONS4.3 EXPERIMENTAL METHODS; 4.3.1 Static high temperature and pressure conductivity cells; 4.3.2 Flow-through conductivity cell; 4.3.3 Measurement procedure; 4.4 DATA TREATMENT; 4.4.1 Dissociated electrolytes; 4.4.2 Associated electrolytes; 4.4.3 Getting information from electrical conductivity data; 4.5 GENERAL TRENDS; 4.5.1 Specific conductivity as a function of temperature, concentration and density; 4.5.2 The limiting molar conductivity; 4.5.3 Concentration dependence of the molar conductivity and association constants 4.5.4 Molar conductivity as a function of temperature and density4.5.5 Conductivity in ternary systems; REFERENCES; 5: Thermal Conductivity; 5.1 INTRODUCTION; 5.2 EXPERIMENTAL TECHNIQUES; 5.2.1 Parallel-plate technique; 5.2.2 Coaxial-cylinder technique; 5.2.3 Transient hot-wire technique; 5.2.4 Conclusion; 5.3 AVAILABLE EXPERIMENTAL DATA; 5.3.1 Temperature dependence; 5.3.2 Pressure dependence; 5.3.3 Concentration dependence; 5.4 DISCUSSION OF EXPERIMENTAL DATA; REFERENCES; 6: Viscosity; 6.1 INTRODUCTION; 6.2 EXPERIMENTAL TECHNIQUES; 6.2.1 Capillary-flow technique 6.2.2 Oscillating-disk technique |
| Record Nr. | UNINA-9910830729903321 |
| Chichester, West Sussex, : Wiley, c2008 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Hydrothermal experimental data / / edited by Vladimir M. Valyashko
| Hydrothermal experimental data / / edited by Vladimir M. Valyashko |
| Pubbl/distr/stampa | Chichester, West Sussex, : Wiley, c2008 |
| Descrizione fisica | 1 online resource (309 p.) |
| Disciplina |
541.3416
541/.34 551.23 |
| Altri autori (Persone) | Vali⁻ashkoV. M (Vladimir Mikhailovich) |
| Soggetto topico |
High temperature chemistry
Solution (Chemistry) Phase rule and equilibrium Materials - Thermal properties |
| ISBN |
1-282-68654-2
9786612686542 0-470-09467-2 0-470-09466-4 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
Hydrothermal Experimental Data; Contents; CD Table of Contents; Foreword; Preface; Acknowledgements; 1: Phase Equilibria in Binary and Ternary Hydrothermal Systems; 1.1 INTRODUCTION; 1.2 EXPERIMENTAL METHODS FOR STUDYING HYDROTHERMAL PHASE EQUILIBRIA; 1.2.1 Methods of visual observation; 1.2.2 Methods of sampling; 1.2.3 Methods of quenching; 1.2.4 Indirect methods; 1.3 PHASE EQUILIBRIA IN BINARY SYSTEMS; 1.3.1 Main types of fluid phase behavior; 1.3.2 Classification of complete phase diagrams; 1.3.3 Graphical representation and experimental examples of binary phase diagrams
1.4 PHASE EQUILIBRIA IN TERNARY SYSTEMS1.4.1 Graphical representation of ternary phase diagrams; 1.4.2 Derivation and classification of ternary phase diagrams; REFERENCES; 2: pVTx Properties of Hydrothermal Systems; 2.1 BASIC PRINCIPLES AND DEFINITIONS; 2.2 EXPERIMENTAL METHODS; 2.2.1 Constant volume piezometers (CVP); 2.2.2 Variable volume piezometers (VVP); 2.2.3 Hydrostatic weighing technique (HWT); 2.2.4 Vibrating tube densimeter (VTD); 2.2.5 Synthetic fluid inclusion technique; 2.3 THEORETICAL TREATMENT OF pVTx DATA; 2.3.1 Excess volume; 2.3.2 Models for the standard partial molar volume 2.4 pVTx DATA FOR HYDROTHERMAL SYSTEMS2.4.1 Laboratory activities; 2.4.2 Summary table; REFERENCES; 3: High Temperature Potentiometry; 3.1 INTRODUCTION; 3.1.1 Reference electrodes; 3.1.2 Indicator electrodes; 3.1.3 Diffusion, thermal diffusion, thermoelectric, and streaming potentials; 3.1.4 Reference and buffer solutions; 3.2 EXPERIMENTAL METHODS; 3.2.1 Hydrogen-electrode concentration cell; 3.2.2 Flow-through conventional potentiometric cells; 3.3 DATA TREATMENT; REFERENCES; 4: Electrical Conductivity in Hydrothermal Binary and Ternary Systems; 4.1 INTRODUCTION 4.2 BASIC PRINCIPLES AND DEFINITIONS4.3 EXPERIMENTAL METHODS; 4.3.1 Static high temperature and pressure conductivity cells; 4.3.2 Flow-through conductivity cell; 4.3.3 Measurement procedure; 4.4 DATA TREATMENT; 4.4.1 Dissociated electrolytes; 4.4.2 Associated electrolytes; 4.4.3 Getting information from electrical conductivity data; 4.5 GENERAL TRENDS; 4.5.1 Specific conductivity as a function of temperature, concentration and density; 4.5.2 The limiting molar conductivity; 4.5.3 Concentration dependence of the molar conductivity and association constants 4.5.4 Molar conductivity as a function of temperature and density4.5.5 Conductivity in ternary systems; REFERENCES; 5: Thermal Conductivity; 5.1 INTRODUCTION; 5.2 EXPERIMENTAL TECHNIQUES; 5.2.1 Parallel-plate technique; 5.2.2 Coaxial-cylinder technique; 5.2.3 Transient hot-wire technique; 5.2.4 Conclusion; 5.3 AVAILABLE EXPERIMENTAL DATA; 5.3.1 Temperature dependence; 5.3.2 Pressure dependence; 5.3.3 Concentration dependence; 5.4 DISCUSSION OF EXPERIMENTAL DATA; REFERENCES; 6: Viscosity; 6.1 INTRODUCTION; 6.2 EXPERIMENTAL TECHNIQUES; 6.2.1 Capillary-flow technique 6.2.2 Oscillating-disk technique |
| Altri titoli varianti | Hydrothermal properties of materials : experimental data on aqueous phase equilibria and solution properties at elevated temperatures and pressures |
| Record Nr. | UNINA-9910877658203321 |
| Chichester, West Sussex, : Wiley, c2008 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Molecular Theory of Solutions [[electronic resource]]
| Molecular Theory of Solutions [[electronic resource]] |
| Autore | Ben-Naim Arieh |
| Pubbl/distr/stampa | Oxford, : Oxford University Press, UK, 2006 |
| Descrizione fisica | 1 online resource (399 p.) |
| Disciplina |
541.34
541/.34 |
| Soggetto topico |
Molecular theory
Solution (Chemistry) Chemical & Materials Engineering Engineering & Applied Sciences Chemical Engineering |
| Soggetto genere / forma | Electronic books. |
| ISBN |
1-282-36586-X
9786612365867 9786610870332 0-19-153849-3 1-4356-0725-2 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | TABLE OF CONTENTS; LIST OF ABBREVIATIONS; 1 Introduction; 2 Molecular distribution functions; 3 Thermodynamic quantities expressed in terms of molecular distribution functions; 4 The Kirkwood-Buff theory of solutions; 5 Ideal solutions; 6 Deviations from ideal solutions; 7 Solvation thermodynamics; 8 Local composition and preferential solvation; Appendices; REFERENCES; INDEX |
| Record Nr. | UNINA-9910452356303321 |
Ben-Naim Arieh
|
||
| Oxford, : Oxford University Press, UK, 2006 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Molecular theory of solutions [[electronic resource] /] / Arieh Ben-Naim
| Molecular theory of solutions [[electronic resource] /] / Arieh Ben-Naim |
| Autore | Ben-Naim Arieh <1934-> |
| Pubbl/distr/stampa | Oxford ; New York, : Oxford University Press, 2006 |
| Descrizione fisica | xvi, 380 p. : ill |
| Disciplina | 541/.34 |
| Soggetto topico |
Solution (Chemistry)
Molecular theory |
| ISBN |
1-383-04438-4
0-19-153849-3 9786610870332 1-282-36586-X 1-4356-0725-2 9786612365867 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910795703803321 |
|
Ben-Naim Arieh <1934->
|
||
| Oxford ; New York, : Oxford University Press, 2006 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Molecular theory of solutions [[electronic resource] /] / Arieh Ben-Naim
| Molecular theory of solutions [[electronic resource] /] / Arieh Ben-Naim |
| Autore | Ben-Naim Arieh <1934-> |
| Pubbl/distr/stampa | Oxford ; New York, : Oxford University Press, 2006 |
| Descrizione fisica | xvi, 380 p. : ill |
| Disciplina | 541/.34 |
| Soggetto topico |
Solution (Chemistry)
Molecular theory |
| ISBN |
1-383-04438-4
0-19-153849-3 9786610870332 1-282-36586-X 1-4356-0725-2 9786612365867 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910813571103321 |
|
Ben-Naim Arieh <1934->
|
||
| Oxford ; New York, : Oxford University Press, 2006 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Solvent effects in chemistry / / Erwin Buncel, Robert A. Stairs
| Solvent effects in chemistry / / Erwin Buncel, Robert A. Stairs |
| Autore | Buncel E. |
| Edizione | [Second edition.] |
| Pubbl/distr/stampa | Hoboken, New Jersey : , : Wiley, , 2016 |
| Descrizione fisica | 1 online resource (528 p.) |
| Disciplina | 541/.34 |
| Soggetto topico |
Solvation
Chemical reactions Solvents |
| ISBN |
1-5231-1055-4
1-119-04429-4 1-119-04430-8 1-119-04419-7 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
COVER; TABLE OF CONTENTS; TITLE PAGE; PREFACE TO THE SECOND EDITION; PREFACE TO THE FIRST EDITION; 1 PHYSICOCHEMICAL FOUNDATIONS; 1.1 GENERALITIES; 1.2 CLASSIFICATION OF SOLVENTS; 1.3 SOLVENTS IN THE WORKPLACE AND THE ENVIRONMENT; 1.4 SOME ESSENTIAL THERMODYNAMICS AND KINETICS: TENDENCY AND RATE; 1.5 EQUILIBRIUM CONSIDERATIONS; 1.6 THERMODYNAMIC TRANSFER FUNCTIONS; 1.7 KINETIC CONSIDERATIONS: COLLISION THEORY; 1.8 TRANSITION-STATE THEORY; 1.9 REACTIONS IN SOLUTION; 1.10 DIFFUSION-CONTROLLED REACTIONS; 1.11 REACTION IN SOLUTION AND THE TRANSITION-STATE THEORY; PROBLEMS; 2 UNREACTIVE SOLVENTS
2.1 INTERMOLECULAR POTENTIALS 2.2 ACTIVITY AND EQUILIBRIUM IN NONELECTROLYTE SOLUTIONS; 2.3 KINETIC SOLVENT EFFECTS; 2.4 SOLVENT POLARITY; 2.5 ELECTROSTATIC FORCES; 2.6 ELECTROLYTES IN SOLUTION; 2.7 SOLVATION; 2.8 SINGLE ION SOLVATION; 2.9 IONIC ASSOCIATION; 2.10 SOLVENT MIXTURES; 2.11 SALT EFFECTS; PROBLEMS; 3 REACTIVE SOLVENTS; 3.1 SPECIFIC SOLUTE/SOLVENT INTERACTIONS; 3.2 HYDROGEN BONDING; 3.3 ACIDS AND BASES IN SOLVENTS; 3.4 BRØNSTED-LOWRY ACIDS AND BASES; 3.5 ACIDITY FUNCTIONS; 3.6 ACIDS AND BASES IN KINETICS; 3.7 LEWIS ACIDS AND BASES; 3.8 HARD AND SOFT ACIDS AND BASES (HSAB) 3.9 SCALES OF HARDNESS OR SOFTNESS 3.10 ACIDS AND BASES IN REACTIVE APROTIC SOLVENTS; 3.11 EXTREMES OF ACIDITY AND BASICITY; 3.12 OXIDATION AND REDUCTION; 3.13 ACIDITY/REDOX DIAGRAMS; 3.14 UNIFICATION OF ACID-BASE AND REDOX CONCEPTS; PROBLEMS; 4 CHEMOMETRICS: SOLVENT EFFECTS AND STATISTICS; 4.1 LINEAR FREE ENERGY RELATIONSHIPS; 4.2 CORRELATIONS BETWEEN EMPIRICAL PARAMETERS AND OTHER MEASURABLE SOLVENT PROPERTIES; 4.3 REPRESENTATION OF CORRELATION DATA ON THE HEMISPHERE; 4.4 SOME PARTICULAR CASES; 4.5 ACIDITY AND BASICITY PARAMETERS; 4.6 BASE SOFTNESS PARAMETERS; 4.7 CONCLUSION 5 THEORIES OF SOLVENT EFFECTS 5.1 INTRODUCTION: MODELING; 5.2 QUANTUM-MECHANICAL METHODS; 5.3 STATISTICAL-MECHANICAL METHODS; 5.4 INTEGRAL EQUATION THEORIES; 5.5 SOLVATION CALCULATIONS; 5.6 SOME RESULTS; PROBLEMS; 6 DIPOLAR APROTIC SOLVENTS; 6.1 INTRODUCTION; 6.2 ACIDITIES IN DMSO AND THE H-SCALE IN DMSO-H2O MIXTURES; 6.3 USE OF THERMODYNAMIC TRANSFER FUNCTIONS; 6.4 CLASSIFICATION OF RATE PROFILE-MEDIUM EFFECT REACTION TYPES; 6.5 BIMOLECULAR NUCLEOPHILIC SUBSTITUTION; 6.6 PROTON TRANSFER; 6.7 D2-HO EXCHANGE; PROBLEMS; 7 EXAMPLES OF OTHER SOLVENT CLASSES; 7.1 INTRODUCTION; 7.2 ACIDIC SOLVENTS 7.3 BASIC SOLVENTS 7.4 CHIRAL SOLVENTS; 8 NEW SOLVENTS AND GREEN CHEMISTRY; 8.1 NEOTERIC SOLVENTS; 8.2 SUPERCRITICAL FLUIDS; 8.3 IONIC LIQUIDS; 8.4 LOW-TRANSITION-TEMPERATURE MIXTURES; 8.5 BIO-BASED SOLVENTS; 8.6 FLUOROUS SOLVENTS; 8.7 SWITCHABLE SOLVENTS; 8.8 GREEN SOLVENT CHEMISTRY; 9 CONCLUDING OBSERVATIONS; 9.1 CHOOSING A SOLVENT; 9.2 ENVOI; APPENDIX; ANSWERS; CHAPTER 1; CHAPTER 2; CHAPTER 3; CHAPTER 6; REFERENCES; INDEX; END USER LICENSE AGREEMENT |
| Record Nr. | UNINA-9910131369403321 |
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Buncel E.
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| Hoboken, New Jersey : , : Wiley, , 2016 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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