New trends in chemical physics research / Albert R. Baswell, editor.

Format:

Book

Contributor:

Lapherty, James N.

Series:

Chemistry Research and Applications Physics Research and Technology

Advances in mathematics research

Language:

English

Subjects (All):

Chemistry, Physical and theoretical.

Chemistry.

Physical Description:

1 online resource (369 p.)

Edition:

1st ed.

Place of Publication:

New York : Nova Science Publishers, c2011.

Language Note:

English

Summary:

This book presents and discusses recent research developments in the field of chemical physics. Topics discussed herein include quantum dynamics in base pair DNA systems; chemical physical properties of bioprotectant-biomolecule systems; chemical physics of phonons; optimization of polar solar cells; computer molecular modelling; wood pyrolysis; and phonon dynamics of fe-based glassy alloys.

Contents:

Intro

NEW TRENDS IN CHEMICAL PHYSICS RESEARCH

CONTENTS

PREFACE

Chapter 1 UNDERSTANDING NANOSCALE PHENOMENA USING SINGLE PARTICLE MASS SPECTROMETRY AND IMPROVEMENT OF ITS PERFORMANCE: A REVIEW

ABSTRACT

1. INTRODUCTION

2. SINGLE PARTICLE MASS SPECTROMETRY (SPMS)

2.1. Working Principle of the Spms

2.3. Determination of Chemical Composition of a Particle Using Spms

2.4. Size Estimation of a Particle Size from its Mass Spectrum

2.5. Transport Losses of Energetic Ions

2.6. Nanosecond Laser-Induced Energetic Ion Formation

3. APPLICATIONS OF SINGLE PARTICLE MASS SPECTROMETRY

3.1. Kinetic Measurement of Aerosol-Phase Spray Pyrolysis Reaction

Spray Pyrolysis Reaction

Measurement of Kinetic Data of the Spray Pyrolysis Reaction

Change in Reaction Kinetics with Decreasing Initial Sample Mass

3.2. Size-Resolved Kinetic Measurement of Aluminum Nanoparticle Oxidation

Kinetic Measurement of Aluminum Nanoparticle Oxidation

A Mechanism of Aluminum Nanoparticle Oxidation

3.3. Characterization of Metal-Containing Diesel-Emitted Particles

Classification of Particles and Size Distributions for their Classes

Mechanism of Particle Formation

4. DEVELOPMENT OF SINGLE PARTICLE MASS SPECTROMETRY

4.1. Design of a New Ion Optics

Trial 1: Curved Repelling Plate

Trial 2: Einzel Lens

Trial 3: A Tubular Electrode and the Final Design

4.2. Design of an Aerodynamic Lens

Analysis of Single Aerodynamic Lens

Analysis of Multi-Lens System

CONCLUSIONS

ACKNOWLEDGMENTS

REFERENCES

Chapter 2 DIELECTRIC RESPONSE OF POLAR SOLVENT AT AN ELECTRODE- ELECTROLYTE INTERFACE

2. SEGREGATION OF THE INTERFACIAL POLAR SOLVENT MOLECULES

3. DIELECTRIC RELAXATION.

4. FIELD DEPENDENT DIELECTRIC BEHAVIOR AT THE INTERFACE

5. CONCLUSION

Chapter 3 AN OPEN FIELD: QUANTUM DYNAMICS IN BASE PAIR DNA SYSTEMS

Chapter 4 ADVANCED RAMAN SPECTROSCOPY FOR COUNTERACTING PREMATURE WEAR FAILURE OF BIOMEDICAL POLYETHYLENE

INTRODUCTION

HISTORICAL BACKGROUND ON POLYETHYLENE IN THA

NEED FOR RAMAN ANALYSIS OF POLYETHYLENE LINERS

EXPERIMENTAL PROCEDURES

RESULTS

DISCUSSION

CONCLUSION

ACKNOWLEDGMENT

Chapter 5 GROUND STATE ISOMERISM AND DUAL FLUORESCENCE OF 2-METHYLHARMINE ANHYDRONIUM BASE (7-METHOXY-1, 2-DIMETHYL-2H-PYRIDO[3,4-B]INDOLE) IN 2-METHYLBUTANE AND OTHER APROTIC SOLVENTS

EXPERIMENTAL

RESULTS AND DISCUSSION

Chapter 6 CHEMICAL-PHYSICAL PROPERTIES OF BIOPROTECTANT-BIOMOLECULE SYSTEMS

EXPERIMENTAL SECTION

Chapter 7 CHEMICAL PHYSICS OF PHONONS AND SUPERCONDUCTIVITY: AN HEURISTIC APPROACH

I. SUPERCONDUCTIVITY AND THE GAS LAWS

II. SUPERCONDUCTIVITY AND THE ELECTRON-PHONON COUPLING PARAMETER, Λ

III. SUPERCONDUCTIVITY AND THE MORSE POTENTIAL AND BADGER'S RULE

Chapter 8 A REVIEW PAPER ON ERUCAMIDE: ITS SYNTHESIS, PHYSICAL AND CHEMICAL PROPERTIES

1.1. Erucamide

1.1.2. Principle of Action of Erucamide

1.1.3. Mechanism of Action

1.2. Chemical Methods for Synthesizing Fatty Amides

1.2.1. Dehydration of Ammonium Salts

1.2.2. Ammonolysis of Ester

1.2.3. Ammonolysis of Acid Chloride

1.2.4. Ammnolysis of Acid Anhydrides

1.2.5. Inter Charge Reactions

1.2.6. Addition of Water to Nitriles

1.3. Properties of Fatty Amides

1.3.1. Physical Properties

1.3.1.1. Hydrogen Bonding.

1.3.1.2. Melting and Freezing Point Behaviour

1.3.1.3. Solubilities

1.3.2. Chemical Properties

1.3.2.1. Hydrolysis

1.3.2.2. Alcoholysis and Ester-Ester Interchange Reactions

1.3.2.3. Salt Formation with Mineral Acids

1.3.2.4. Reaction with Nitrous Acid

1.3.2.5. Dehydration to Nitriles

1.3.2.6. Hofmann Degradation Reaction

1.3.2.7. Reduction to Primary and Secondary Amines

1.3.2.8. Reaction with Formaldehyde

1.3.2.9. Ethhoxylation with Ethylene Oxide

1.3.2.10. Acylation

1.3.2.11. Alkylation: Conversion to Hydroxamic Acids

1.3.2.12. N-Halogenation

1.3.2.13. Formation of Alkali Metal Derivatives

1.3.2.14. Sulfonation

1.3.2.15. Nitration

1.3.2.16. Reaction with the Grignard Reagent

1.4. General Characteristics of Erucamide

1.4.1. Estimated Mechanism for Developing Lubricity

1.4.2. Amounts of Erucamide Added and Amounts of Amide on LDPE

1.4.3. Melting Point Behaviour of Erucamide

1.4.4. Effect of Film Thickness on Coefficient of Friction

1.5. Comparison between Erucamide, Oleamide and Stearamide

1.6. Applications

1.6.1. Polymer Industry

1.6.2. Paint Industry

1.6.3. Textile and Surfactant Industries

1.6.4. Other Applications

2. REVIEW OF LITERATURE

2.1. Compositions

2.2. Synthesis

2.3. Properties

2.4. Applications

2.5. Analysis

Chapter 9 COMPUTER MOLECULAR MODELLING WITH EXPERIMENTAL STUDIES, OF PYROLYSIS CHEMISTRY OF LOW-RANK COALS CONTAINING INORGANIC COMPLEXES AND CATALYTIC STEAM GASIFICATION

2. EXPERIMENTAL AND COMPUTATIONAL METHODS

2.1. Pyrolysis

2.2. Gasification

2.3. Analytical Procedures

2.4. Semi-Empirical and DFT Computations

3. DEVELOPMENT OF MOLECULAR STRUCTURES

3.1. Molecular Model for Low-Rank Coals

3.2. Char Molecular Models

4. RESULTS AND DISCUSSION.

4.1. Addition of Metal Species to Low-Rank Coals

4.2. Pyrolysis and Char Formation Chemistry

4.2.1. Low-Temperature Pyrolysis, Loss of CO2, CO and H2O

4.2.2. Higher-Temperature Pyrolysis, CO and H2 Formation, and Catalytic Sites

4.2.3. Catalytic Steam Gasification

Chapter 10 DOUBLE RARE-EARTH - BORON SUBMONOLAYER TO MULTILAYER ADSORBED FILMS AS A PROTOTYPE OF RARE-EARTH HEXABORIDE SURFACE

2. EXPERIMENTAL

3. RESULTS AND DISCUSSION

3.1. Single Adsorbate Systems

3.1.1. La-Mo(110) and Gd-Mo(110)

3.1.2. B-Mo(110)

3.2. Double Adsorbate Systems

3.2.1. La-B-Mo(110) and Gd-B-Mo(110), B-La-Mo(110) and B-Gd-Mo(110)

Chapter 11 OPTIMIZATION OF POLYMER SOLAR CELLS: AN APPROACH TO INCREASE THE OPEN CIRCUIT VOLTAGE

2. WORKING PRINCIPLES OF POLYMER-FULLERENE SOLAR CELLS

3. BASIC PROPERTIES OF FULLERENES

4. FULLERENES AS ELECTRON ACCEPTOR IN POLYMER SOLAR CELLS

[60]PCBM

[70]PCBM

[84]PCBM

Other Fullerene Derivatives

5. DESIGN OF FULLERENE DERIVATIVES FOR POLYMER SOLAR CELLS

Theoretical Approach

Geometric and Electronic Structure of [60]PCBM

Tuning the LUMO Level of Fullerene Using Substituents on the Phenyl Ring of [60]PCBM

Tuning the LUMO Level of Fullerene Changing the Atom Attached to the Cage

Chapter 12 WOOD PYROLYSIS: INFLUENCE OF PYROLYSIS TEMPERATURE AND HEATING RATE ON CHARCOAL PROPERTIES AND PYROLYSIS PROCESS

MATERIALS AND METHODS

Wood Characterization

Wood Pyrolysis

Charcoal Combustion

Combustion Apparent Activation Energy Calculations

REFERENCES.

Chapter 13 NITRATION OF CELLULOSE AND PERFORMANCE OF CELLULOSE NITRATE BASED ADHESIVES FOR SELECTED SUBSTRATES

EXPERIMENTALS

Material

Cotton Linters

Methods

Nitration of Cellulose

Determination of Degree of Nitration of Cellulose Nitrate

Measurement of Average Molar Mass of Cellulose Nitrate and Estimation of Unperturbed Polymer Dimension

Formulation of the Cellulose Nitrate Adhesives

Measurement of Tack

Measurement of Bonding Strength

Effects of Composition of Mixed Acids on Degree of Nitration of Cellulose

The Dependence of the Observed Degree of Nitration of Cellulose on Average Molar Mass

Bonding Strengths of Cellulose Nitrate-Based Adhesives for Paper, Wood and Leather Substrates

Effects of Various Factors on Bond Strength Produced by Cellulose Nitrate

Tack of Cellulose Nitrate Based Adhesives for Paper, Wood and Leather Substrates

Effects of Various Factors on Tack of Cellulose Nitrate Adhesives

Chapter 14 PHONON DYNAMICS OF FE-BASED GLASSY ALLOYS

2. THEORETICAL METHODOLOGY

Chapter 15 VIBRATIONAL DYNAMICS OF ZR-BASED BULK METALLIC GLASSES

Chapter 16 WAY FROM PHYSICAL NONEQUILIBRIUM TO BIOLOGICAL EVOLUTION

1. PREBIOTIC ORGANIC MICROSYSTEMS

2. PREBIOTIC MICROSYSTEMS AT THE UNSTABLE BIFURCATE STATE

3. BISTATE (PULSING) PREBIOTIC MICROSYSTEMS

4. EMERGENCE OF LIVING PROBIONTS AND THEIR COMMUNITIES

5. BIOLOGICAL EVOLUTION FROM PROBIONTS TO PROGENOTES

6. BIOLOGICAL EVOLUTION FROM PROGENOTES TO PROKARYOTES

Chapter 17 THE STRUCTURE OF PHOSPHATE, ALKALI PHOSPHATE, BORATE AND ALKALI BORATE GLASSES.

Notes:

Description based upon print version of record.

Includes bibliographical references and index.

ISBN:

1-61122-428-4

OCLC:

833361084