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Computational Methods for Sensor Material Selection

  • Book
  • © 2010

Overview

Editors:
  1. Margaret A. Ryan

    1. Jet Propulsion Lab., California Institute of Technology, Pasadena, U.S.A.

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  2. Abhijit V. Shevade

    1. Jet Propulsion Lab., California Institute of Technology, Pasadena, U.S.A.

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  3. Charles J. Taylor

    1. Pomona College, Seaver Chemistry Laboratory, Claremont, U.S.A.

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  4. M. L. Homer

    1. Jet Propulsion Lab., California Institute of Technology, Pasadena, U.S.A.

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  5. Mario Blanco

    1. Molecular Simulations Center, California Institute of Technology, Pasadena, U.S.A.

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  6. Joseph R. Stetter

    1. KWJ Engineering, Inc., Newark, U.S.A.

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  • One of the first volumes in comprehensive new Springer series Integrated Microanalytical Sytems, edited by R. Potyrailo
  • Complements the experimental approach in other series volume, "Combinatorial methods for sensor materials," by Potyrailo and Mirsky
  • First book of its kind, exclusively devoted to the selection of sensors and components for a chemical sensing array
  • Applications of "electronic noses" include process control, medical diagnosis, and environmental monitoring
  • Includes supplementary material: sn.pub/extras

Part of the book series: Integrated Analytical Systems (ANASYS)

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Table of contents (13 chapters)

  1. Front Matter

    Pages ii-xv
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  2. First Principles Methods For Materials Evaluation

    1. Front Matter

      Pages 1-1
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    2. Introduction: Experimental Methods in Chemical Sensor and Sensor Array Evaluation and Development

      • Joseph R. Stetter
      Pages 3-46

    3. Electromechanical and Chemical Sensing at the Nanoscale: DFT and Transport Modeling

      • Amitesh Maiti
      Pages 47-69

    4. Quantum Mechanics and First-Principles Molecular Dynamics Selection of Polymer Sensing Materials

      • Mario Blanco, Abhijit V. Shevade, Margaret A. Ryan
      Pages 71-92

    5. Prediction of Quartz Crystal Microbalance Gas Sensor Responses Using Grand Canonical Monte Carlo Method

      • Takamichi Nakamoto
      Pages 93-111

    6. Computer-Aided Design of Organic Host Architectures for Selective Chemosensors

      • Benjamin P. Hay, Vyacheslav S. Bryantsev
      Pages 113-133

    7. First Principles Molecular Modeling of Sensing Material Selection for Hybrid Biomimetic Nanosensors

      • Mario Blanco, Michael C. McAlpine, James R. Heath
      Pages 135-148

  3. Statistical And Multivariate Methods For Materials Evaluation

    1. Front Matter

      Pages 150-150
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    2. Development of New Sensing Materials Using Combinatorial and High-Throughput Experimentation

      • Radislav A. Potyrailo, Vladimir M. Mirsky
      Pages 151-166

    3. Chemical Sensor Array Response Modeling Using Quantitative Structure-Activity Relationships Technique

      • Abhijit V. Shevade, Margaret A. Ryan, Margie L. Homer, Hanying Zhou, Allison M. Manfreda, Liana M. Lara et al.
      Pages 167-192

    4. Design and Information Content of Arrays of Sorption-Based Vapor Sensors Using Solubility Interactions and Linear Solvation Energy Relationships

      • Jay W. Grate, Michael H. Abraham, Barry M. Wise
      Pages 193-218

  4. Designing Sensing Arrays

    1. Front Matter

      Pages 220-220
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    2. A Statistical Approach to Materials Evaluation and Selection for Chemical Sensor Arrays

      • Baranidharan Raman, Douglas C. Meier, Steve Semancik
      Pages 221-244

    3. Statistical Methods for Selecting the Components of a Sensing Array

      • Margie L. Homer, Hanying Zhou, April D. Jewell, Margaret A. Ryan
      Pages 245-264

    4. Hybrid Arrays for Chemical Sensing

      • Kirsten E. Kramer, Susan L. Rose-Pehrsson, Kevin J. Johnson, Christian P. Minor
      Pages 265-298

  5. Future Directions

    1. Front Matter

      Pages 300-300
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    2. Future Directions

      • Margaret A. Ryan, Abhijit V. Shevade
      Pages 301-304

  6. Back Matter

    Pages 305-319
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Keywords

About this book

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."

Reviews

From the reviews:

“The book is written in a comprehensible manner. Each chapter contains descriptive examples. After a short introduction, the book gives very detailed information about scientific issues in each topic. Besides quantum mechanical principles, statistical approaches are covered as well. Therefore, all important topics for selecting sensing materials for chemical vapor sensing are covered. Owing to this excellent collection, the book is recommended for all scientists working on chemical vapor sensing.”­­­ (Felix Kolarov, Analytical and Bioanalytical Chemistry, Vol. 397, May, 2010)

Editors and Affiliations

  • Jet Propulsion Lab., California Institute of Technology, Pasadena, U.S.A.

    Margaret A. Ryan, Abhijit V. Shevade, M. L. Homer

  • Pomona College, Seaver Chemistry Laboratory, Claremont, U.S.A.

    Charles J. Taylor

  • Molecular Simulations Center, California Institute of Technology, Pasadena, U.S.A.

    Mario Blanco

  • KWJ Engineering, Inc., Newark, U.S.A.

    Joseph R. Stetter

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