Computational Methods for Sensor Material Selection

• Corporate Author: SpringerLink (Online service)
• Other Authors: Ryan, Margaret A. (Editor), Shevade, Abhijit V. (Editor), Taylor, Charles J. (Editor), Homer, M. L. (Editor), Blanco, Mario. (Editor), Stetter, Joseph R. (Editor)
• Format: Electronic
• Language: English
• Published: New York, NY : Springer US, 2010.
• Series: Integrated Analytical Systems
• Subjects: Chemistry.; Analytical biochemistry.; Chemistry, Physical organic.; Chemical engineering.; Materials.; Surfaces (Physics).; Analytical Chemistry.; Materials Science, general.; Characterization and Evaluation of Materials.; Computer Applications in Chemistry.; Physical Chemistry.; Industrial Chemistry/Chemical Engineering.
• Online Access: https://ezaccess.library.uitm.edu.my/login?url=http://dx.doi.org/10.1007/978-0-387-73715-7

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 candi...

Table of Contents:

• Introduction: Experimental Methods In Chemical Sensor And Sensor Array Evaluation And Development
• Electromechanical and chemical sensing at the nanoscale: DFT and transport modeling
• Quantum Mechanics and First-Principles Molecular Dynamics Selection of Polymer Sensing Materials
• Prediction of quartz crystal microbalance gas sensor responses using Grand Canonical Monte Carlo method.-Computer-Aided Design of Organic Host Architectures for Selective Chemosensors
• First Principles Molecular Modeling of Sensing Material Selection for Hybrid Biomimetic Nano-Sensors
• Development of new sensing materials using combinatorial and high-throughput experimentation
• Chemical Sensor Array Response Modeling Using Quantitative Structure-Activity Relationships (QSAR) Technique
• Design and Information Content of Arrays of Sorption-based Vapor Sensors using Solubility Interactions and Linear Solvation Energy Relationships
• A Statistical Approach to Materials Evaluation and Selection for Chemical Sensor Arrays
• Statistical Methods for Selecting the Components of a Sensing Array
• Hybrid Arrays for Chemical Sensing
• Future directions.