CHEMICAL INFORMATION PROCESSING SYSTEMS
Learning outcomes of the course unit
The specific educational goals of this course may be summarized as follows:
How to use the spreadsheet Excel in scientific data analysis. Programming of virtual instruments by graphic language LabVIEW to data acquisition.
Course contents summary
What is a macro in Excel. Introduction to VBA (Visual Basic for Application).
Overview of transducers.
Data acquisition (DAQ).
Introduction to a graphical programming language LabVIEW.
Introduction to using the spreadsheet Excel. Importing macros and data. Mathematical operations. Graph in Excel. Least-squares fitting: comparison of the various methods available in Excel. Analysis of the residuals. Non linear data fitting in Excel: examples of chemical data fitting by Solver. What is a macro in Excel. The planning of simplest macros to repeat a given series of instructions. Introduction to VBA (Visual Basic for Application). Visual Basic procedures and functions. Variables and scope. Program control and loop. Reading and modifying the contents of a block of cells. Numerical computing by writing a simplest macros (p.e. peak area by numerical integration, smoothing of a spectra, finding a root of a functions). Examples of application of macros to digital data handling of the spectra utilizing Fourier transformations. Overview of transducers, signals and signal conditioning. Data acquisition (DAQ). The components of a DAQ device: multiplexer, instrumentation amplifier, analog-to-digital converter (ADC), digital-to-analog converter (DAC), digital I/O circuitry. Configuration considerations of a DAQ (p.e. the resolution and range of the ADC, the gain applied by the instrumentation amplifier, the sampling frequency). Introduction to a graphical programming language LabVIEW. The concept of the virtual instruments (VI): the front panel, the block diagram. Building simplest VI for the following application: the data acquisition from a chemical instrument connected with the computer through RS232 port (es. pHmeter, conductimeter) or from a transducer connected to a DAQ card , graphical visualization and numerical analysis of chemical data (curve fitting, finding zeroes of functions, Fourier signal processing.
1.Robert de Levie : How to Use Excel in Analytical Chemistry and in General Scientific Data Analysis (2001)- Cambridge Univeristy Press
2) Billo : Excel for Chemistry (2001) Wiley
3) D.M.Bourg: Excel per i calcoli scientifici e per ingegneria ( 2006) Hops
4.Robert H.Bishop : LabVIEW Student Edition 7i ; Prentice Hall (2003)
Presentation of printouts containing computer lists of programs in Excel and Labview.
Assessment methods and criteria