Computational Methods for Sensor Material Selection (eBook)

Mario Blanco, M. L. Homer, Margaret A. Ryan, Abhijit V. Shevade, Joseph R. Stetter, Charles J. Taylor (Herausgeber)

eBook Download: PDF

2009 | 2010
XV, 319 Seiten
Springer New York (Verlag)
978-0-387-73715-7 (ISBN)

Infos

Chemical vapor sensing arrays have grown in popularity over the past two decades, finding applications for tasks such as process control, environmental monitoring, and medical diagnosis. This is the first in-depth analysis of the process of choosing materials and components for these 'electronic noses', with special emphasis on computational methods. For a view of component selection with an experimental perspective, readers may refer to the complementary volume of Integrated Microanalytical Systems entitled 'Combinatorial Methodologies for Sensor Materials.'

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Chemical vapor sensing arrays have grown in popularity over the past two decades, finding applications for tasks such as process control, environmental monitoring, and medical diagnosis. This is the first in-depth analysis of the process of choosing materials and components for these "e;electronic noses"e;, with special emphasis on computational methods. For a view of component selection with an experimental perspective, readers may refer to the complementary volume of Integrated Microanalytical Systems entitled "e;Combinatorial Methodologies for Sensor Materials."e;

Inhalt

Series Preface 5
Preface 7
Contents 11
Contributors 13
Part I First Principles Methods For Materials Evaluation 16
1 Introduction: Experimental Methods in Chemical Sensor and Sensor Array Evaluation and Development 17
2 Electromechanical and Chemical Sensing at the Nanoscale: DFT and Transport Modeling 61
3 Quantum Mechanics and First-Principles Molecular Dynamics Selection of Polymer Sensing Materials 84
4 Prediction of Quartz Crystal Microbalance Gas Sensor Responses Using Grand Canonical Monte Carlo Method 106
5 Computer-Aided Design of Organic Host Architectures for Selective Chemosensors 125
6 First Principles Molecular Modeling of Sensing Material Selection for Hybrid Biomimetic Nanosensors 146
Part II Statistical And Multivariate Methods For Materials Evaluation 160
7 Development of New Sensing Materials Using Combinatorial and High- Throughput Experimentation 161
8 Chemical Sensor Array Response Modeling Using Quantitative Structure- Activity Relationships Technique 177
9 Design and Information Content of Arrays of Sorption- Based Vapor Sensors Using Solubility Interactions and Linear Solvation Energy Relationships 203
Part III Designing Sensing Arrays 229
10 A Statistical Approach to Materials Evaluation and Selection for Chemical Sensor Arrays 230
11 Statistical Methods for Selecting the Components of a Sensing Array 254
12 Hybrid Arrays for Chemical Sensing 274
Part IV Future Directions 308
13 Future Directions 309
Index 313

Produkt-Details

• Erscheint lt. Verlag: 6.10.2009
• Reihe/Serie: Integrated Analytical Systems
• Reihe/Serie: Integrated Analytical Systems
• Zusatzinfo: XV, 319 p.
• Verlagsort: New York
• Sprache: englisch
• Themenwelt: Naturwissenschaften ► Chemie ► Analytische Chemie
• Themenwelt: Naturwissenschaften ► Chemie ► Physikalische Chemie
• Themenwelt: Naturwissenschaften ► Chemie ► Technische Chemie
• Themenwelt: Technik ► Maschinenbau
• Schlagworte: Bio-sensors • Chemical sensors • Computational Method • Crystal • Dynamics • Mechanics • Microanalytical • Modeling • Polymer • Sensor Arrays • Sensor Material • sensors • Vapor • Vapor sensing arrays
• ISBN-10: 0-387-73715-4 / 0387737154
• ISBN-13: 978-0-387-73715-7 / 9780387737157