In Computational Methods for Sensor Material Selection, experts discuss the design and selection of active sensing surfaces for chemical sensors, particularly sensors used in vapor sensing arrays or electronic noses.
Part I covers first principles.
Part II focuses on identifying and evaluating candidate sensing materials and covers such topics as calculations of sensor-analyte interactions, statistical and semi-empirical methods based on characteristics of sensing material and analyte, and new experimental methods.
Part III advises on selecting materials for inclusion in arrays by use of statistical methods and algorithm-based methods for evaluating the array response to target analytes.
This book will appeal to researchers in academia and industry involved in chemical vapor sensing and monitoring. Also, it will be of special interest to those who are developing devices based on chemical sensing arrays.
Author(s): Joseph R. Stetter (auth.), Margaret A. Ryan, Abhijit V. Shevade, Charles J. Taylor, M. L. Homer, Mario Blanco, Joseph R. Stetter (eds.)
Series: Integrated Analytical Systems
Edition: 1
Publisher: Springer-Verlag New York
Year: 2010
Language: English
Pages: 319
Tags: Analytical Chemistry; Materials Science, general; Characterization and Evaluation of Materials; Computer Applications in Chemistry; Physical Chemistry; Industrial Chemistry/Chemical Engineering
Front Matter....Pages ii-xv
Front Matter....Pages 1-1
Introduction: Experimental Methods in Chemical Sensor and Sensor Array Evaluation and Development....Pages 3-46
Electromechanical and Chemical Sensing at the Nanoscale: DFT and Transport Modeling....Pages 47-69
Quantum Mechanics and First-Principles Molecular Dynamics Selection of Polymer Sensing Materials....Pages 71-92
Prediction of Quartz Crystal Microbalance Gas Sensor Responses Using Grand Canonical Monte Carlo Method....Pages 93-111
Computer-Aided Design of Organic Host Architectures for Selective Chemosensors....Pages 113-133
First Principles Molecular Modeling of Sensing Material Selection for Hybrid Biomimetic Nanosensors....Pages 135-148
Front Matter....Pages 150-150
Development of New Sensing Materials Using Combinatorial and High-Throughput Experimentation....Pages 151-166
Chemical Sensor Array Response Modeling Using Quantitative Structure-Activity Relationships Technique....Pages 167-192
Design and Information Content of Arrays of Sorption-Based Vapor Sensors Using Solubility Interactions and Linear Solvation Energy Relationships....Pages 193-218
Front Matter....Pages 220-220
A Statistical Approach to Materials Evaluation and Selection for Chemical Sensor Arrays....Pages 221-244
Statistical Methods for Selecting the Components of a Sensing Array....Pages 245-264
Hybrid Arrays for Chemical Sensing....Pages 265-298
Front Matter....Pages 300-300
Future Directions....Pages 301-304
Back Matter....Pages 305-319
