Handbook of research on chemoinformatics and chemical engineering / A.K. Haghi, editor.

Format:

Book

Contributor:

Haghi, A. K.

Series:

Chemical engineering methods and technology.

Chemical engineering methods and technology

Language:

English

Subjects (All):

Chemical engineering--Handbooks, manuals, etc.

Chemical engineering.

Physical Description:

1 online resource (228 p.)

Edition:

1st ed.

Place of Publication:

New York : Nova Science Publishers, c2010.

Language Note:

English

Summary:

From theoretical chemistry and quantum chemistry to applied fields such as molecular modelling, drug design, molecular engineering, and the development of supramolecular structures, mathematical chemistry is an important discipline providing both explanations and predictions. This book reviews research on chemoinformatics and chemical engineering.

Contents:

Intro

HANDBOOK OF RESEARCH ONCHEMOINFORMATICS AND CHEMICALENGINEERING

CONTENTS

PREFACE

ZRO2-TIN COMPOSITES

ABSTRACT

1. INTRODUCTION

2. EXPERIMENTAL PROCEDURE

3. RESULTS AND DISCUSSION

3.1. Microstructures

3.2. Mechanical Properties

4.Conclusions

ACKNOWLEDGMENTS

REFERENCES

PHOTOACTIVITY OF SUSPENDED AND IMMOBILIZEDP-25 TIO2 NANOPARTICLES ON EXAMPLE OF DIAZOCONGO RED DYE DEGRADATION

2.1. Materials and Apparatus

2.2. Photocatalytic Decolorization

3. ANALYSIS OF DECOLORIZATION OF DIAZO CONGO RED DYE

3.1. Adsorption Isotherm Studies

3.2. Photocatalytic degradation

3.3. Analysis of Experimental Conditions for Photoreactor A

3.4. Analysis of Experimental Conditions for Photoreactor B

3.5. Decolorization Kinetics

4. CONCLUSION

CHARACTERIZATION AND MONITORING OFDISSOLUTION OF METAL STRINGS

2.1. Characterization of Electric Guitar Strings

2.2. Monitoring of Metal Ions Dissolution

3.1 Results of Characterization of Electric Guitar Strings

3.2. Monitoring of Metal Ions Dissolution

GREEN CHEMISTRY:ANEED OF THE DAY

PRINCIPLES OF GREEN CHEMISTRY

1. Prevention of Waste

2. Maximum Incorporation of all Materials used in the Process into FinalProduct

3. Prevention of Minimization of Hazardous Products

4. Designing Safer Chemicals

5. Safer Solvents and Auxiliaries

6. Design for Energy Efficiency

7. Use of Renewable Feedstock

8. Reduction of Derivatization

9. Use of Catalyst

10. Designed Product should be Biodegradable

11. Designing Safer Manufacturing Plant

12. Strengthening of Analytical Techniques

SOME GREEN CHEMICAL REACTIONS.

1. Aqueous Phase Reactions

2. Solid Phase Organic Synthesis

SOME OTHER GREEN PATHWAYS

WATER

IONIC LIQUIDS AS GREEN SOLVENTS FOR THE FUTURE

SIMPLE ROOM TEMPERATURE IONIC LIQUIDS

DESIGNER SOLVENTS FOR A CLEANER WORLD

NEUTRAL IONIC LIQUIDS

APPLICATIONS

GREEN REAGENT

GREEN CATALYST

ADVANCES IN DOWNDRAFT BIOMASS GASIFICATION

1. ENERGY RESOURCES

2. BIOENERGY

3. BIOMASS CONVERSION TECHNOLOGIES

4. BIOMASS GASIFICATION

4.1 Drying

4.2 Pyrolysis

4.3 Combustion

4.4 Reduction

5. EXPERIMENTAL STUDIES ON DOWNDRAFT BIOMASSGASIFICATION

6. EXPERIMENTAL SETUP AND PROCEDURE

6.1 Experimental Setup

6.2 Experimental Procedure

7. RESULTS AND DISCUSSION

7.1 Biomass Characteristics

7.2 Biomass Gasification

7.3 Effect of Moisture Content

7.4 Effect of Air Flow Rate

7.5 Performance Evaluation of Biomass Gasifier

ADVANCES IN OPTIMIZATION AND SIMULATION OFLOW DENSITY POLYETHYLENE (LDPE) TUBULARREACTOR

1. LOW DENSITY POLYETHYLENE TUBULAR REACTOR

2. SIMULATION AND OPTIMIZATION

3. SIMULATION AND PARAMETRIC ESTIMATION USING DIFFERENTIALEVOLUTION

3.1 Effect of Feed and Jacket Temperature on the Reactor Performance

3.2 Effect of Initiators Concentration on the Reactor Performance

3.3 Effect of Reactor Diameter, Wall Heat Transfer Coefficient and InitialSolvent Concentration

3.4 Effect of Initial Monomer Concentration and Initial Feed Velocity

NOMENCLATURE

APPENDIX

HYDROTHERMAL STABILITY OF YTTRIA ANDNEODYMIA CO-STABILISED ZRO2 AND ZRO2 BASEDCOMPOSITES

3.1 Hydrothermal Aging of ZrO2 Ceramics

3.2 Hydrothermal Aging of ZrO2 Based Composites

4. CONCLUSIONS

REFERENCES.

THE CHEMICAL TOPOLOGY OF CARBONALLOTROPES AND THE EMERGENCE OF SPIROQUANTUM CHEMISTRY

PART I: SPIRO QUANTUM CHEMISTRY

INTRODUCTION

1. SPIROCONJUGATION IN 1-DIMENSION AND P

YSPIROQUUINOID

2. SPIROCONJUGATION IN 3 DIM. AND GLITTER

3. THE SPECIAL cYRSTIAL ORBITAL OF GLITTER

4. EXO AND ENDO SPIROCONJUGATION AND DIFRACTION

5. EXO- AND ENDO-SPIROCONJUGATION AND CHEMISTRY

6. DISTORTIONS OF THE GLITTER LATTICE

7. SYNTHESIS OF GLITTER

8. TOPOLOGICAL INDEXES OF CARBON ALLOTROPES AND GLITTER

9. THE FOUNDATIONS OF A SPIRO QUANTUM CHEMISTRY

PART II: SYNTHESIS OF GLITTER

10. DISCOVERY OF METALLIC CARBON

11. THE GLITTER MODEL OF METALLIC CARBON

12. THEORETICAL STABILITY OF GLITTER

13. CONCLUSIONS

PART III: CLASSIFICATION OF CARBON ALLOTROPES AND GRAPHS

14. A CHEMICAL TOPOLOGY

15.MAPPING OF TESSELLATIONS AND NETWORKS IN SCHLÄFLISPACE

16. SURVEY OF MAPPED PATTERNS AND CARBON ALLOTROPES

17. RATIONAL APPROXIMATIONS TO φ, E AND π

18. CONCLUSIONS

REFERENCES (PART I)

REFERENCES (PART II)

REFERENCES (PART III)

INDEX.

Notes:

Description based upon print version of record.

Includes bibliographical references and index.

Description based on print version record and CIP data provided by publisher.

ISBN:

1-61324-769-9

OCLC:

743805808