Introduction
What is the Virtual Laboratory of Instrumental Methods of Chemical Analysis
The basic theory and exercises of the Virtual Lab
Lab Exercise of Mass Spectrometry
Lab Exercise of Gas Chromatography
The evolution of computer technology brought significant changes in education. Among them, the use of educational software in various scientific fields seems to be the most important one. In addition to conventional software, the use of virtual reality techniques emerges as a new possibility in training students. So far, simulation is the most effective tool in training students in the use of modern instruments of chemical analysis.
The technology advents allow today the building of a virtual laboratory in instrumental methods of chemical analysis. The advantages of such a virtual lab are:
the safety in the operation of instruments
acces to the instruments from each student
low cost training
flexibility in training.
It is clear that for methods as those used in the classical Analytical Chemistry lab (wet - chemical methods), there are still no integrated applications today. However, the techniques of virtual reality seem promising in training students in chemical methods, which need extensive sample handling and motion in space.
What is the Virtual Laboratory of Instrumental Methods of Chemical Analysis
There is no general agreement today about the content of the Virtual Lab. However, it appears that due to the contemporary computer technology, the use of simulation is the basic ingredient of a Virtual Lab. For example, the operation of an analytical instrument can be simulated by a mathematical and/or empirical model. For the recorded signal measurement (number, curve, spectrum) a number of parameters entered by an operator seem to affect both it's quality and quantity. The operator or the student is trained in optimization, calibration and method development for the unknown ('simulated') sample. Simulation of instrument malfunction is also possible. In this last case, the student is trained to cope with such problems by entering proper values for critical parameters or by the proper maintenance.
It is clear that training students in the Virtual Lab has certain advantages. First, it makes possible for students to practise the operation of complicated instruments, such as MS, XRF and others. Second, it offers the posibility for 'hands - on' training in diverse tasks of the lab work, such as sample logistics and administration, data processing, method development, and above all, instrument maintenance and service.
Today's Virtual Lab is using simulation of instrument operation as a primary tool for software development. It is believed that virtual reality techniques will allow simulation of the lab work which needs motion in space (e.g. sample treatment, wet - chemical methods, mobile instruments).
In the following there is a brief description of the lab exercises currently supported by the Virtual Lab.
The basic theory and excersises of the Virtual Lab
The theory, the instrumentation and the exercises of the instrumental methods of analysis are the contents of some popular books. The Virtual Lab is mainly training in instrumentation, method development and data processing of instrumental methods of analysis, completing and even replacing the traditional lab training. However, it appears that the Virtual Lab significally contributes to a better understanding of the principles and the theory of each instrumental method. The use of video clips and 3D diagrams in the Virtual Lab result in a better understanding of the theory of each method.
The educational concept of the Virtual Lab is based on the integration of theory and exercise on a unique platform: the simulation of procedures and operations of instrumental methods of analysis. It provides the student with the opportunity to run instruments and analyze samples without cost, safety or time limitations. It builds experience in each method, it allows flexibility in time schedules and it does not require much of the sometimes limited and isolated lab space.
This lab exercise aims to teach the student the basic principles and the instrumentation of mass spectrometry and the typical procedure for the recording and interpretation of the mass spectrum of an unknown compound. In addition, the student learns how to safely operate a mass spectrometer and also becomes familiar with the basic maintenance procedures of the instrument. More specifically, the following issues are being instructed:
The basic principles of the formation of ions in the gas phase, the fragmentation of ions, the motion of ions within an electric and/or magnetic field and the detection of the ions.
The basic parts of a mass spectrometer.
The typical procedure for the acquisition (or recording) of the mass spectrum of an unknown compound, that is
- The optimization of the ion source
- The calibration of the instrument
- The development of the analysis method
- The spectrum acquisitionThe typical procedure for the interpretation of the spectrum using specific guidelines (rules) and several series of spectrometric data.
Moreover, the student is being trained in:
The safe operation of the mass spectrometer, focusing on issues such as the choice of suitable values for the operational parameters and coping with the malfunctions of the instrument.
The good laboratory practise and the maintenance of the instrument.
Briefly, the exercise consists of the following steps:
Getting started (loading and running the MS-SIMULA software)
The selection of the level of difficulty (beginner, intermediate, advanced)
A brief introduction to mass spectrometry (tutor)
The beginner user
- Entering the temperature values of the instrument at stand-by conditions (\functions\set temperatures)
- History of an unknown sample (\experiment\sample card)
- Optimization of the ion source (\functions\optimize source)
- Calibration of the instrument (\functions\calibrate instrument)
- Development of an analysis method (\experiment\method)
- Acquisition and recording of the spectrum (\experiment\acquisition)
- Retrieving a saved spectrum (\view\saved spectrum)
- Interpreting the instrument (\interpret\MS data compilation)
- Final report (\experiment\sample card\submit report)
- Marking of the final report (\experiment\sample card\submit report)
- Identification of the mass spectrum by means of a digital library (\intepret\library searching)
- Video clips presenting good laboratory practise (\help\good laboratory practise)
- Images of the mass spectrometer (\view\images)The intermediate user
- Maintenance of the instrument - malfunctions - breakdowns (maintenance)
- Optimization of the ion source and related happenings (happenings)
- Calibration of the instrument and related happenings (happenings)
- Receiving and recording of the mass spectrum and related happenings (happenings)The advanced user
- Archive of experiments (\file\old reports)
- Save reports (\file\save report)
- Goold laboratory practise (\help\good laboratory practise)
- Complicated spectra
Lab exercise of gas chromatography
Principle
This lab exercise aims to teach the student the basic principles and the instrumentation of gas chromatography. The student learns how to assemble a gc system for a particular application and how to develop a gc method. In addition, the student learns how to operate a gas chromatograph, cope with it and apply the basic maintenance procedures.
More specifically, the following issues are being instructed:
- The basic principles of phase separation and distribution.
- The basic parts of a gas chromatograph.
- How to assemble a gc system (selection of the type of carrier gas, injector, column, detector and computer system) for running the analysis of a particular sample.
- How to develop a gc method (parameters for temperatures, gas flows, oven temperature profile) for running the analysis of a particular sample.
- The typical procedure for the gc acquisition and analysis of a mixture.
In addition, the student is being trained in:
- The safe operation of a gas chromatograph and coping with the instrument malfunctions.
- The good laboratory practise and the maintenance of the instrument.
Briefly, the exercise consists of the following steps:
- Getting started (Loading and running the GC-SIMULA W1 software).
- Selecting the level of difficulty (beginner, intermediate, advanced).
- A brief introduction to gas chromatography (tutor).
The beginner user
- Assemble a system for a particular analysis (GC-configuration).
- Method development for a particular analysis.
The intermediate user
- Running a gc instrument without happennings.
The advanced user
- Running a gc instrument with happennings
- Running a gc instrument with complicated samples.
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