Universitat de València

Software for atmospheric gases compensation in infrared spectra

Posted by Universitat de ValènciaResponsive · Patents for licensing · Spain

Summary of the technology

• Easy to use: a blank spectrum with water vapor, CO2 and other interfering vapours has to be obtained under the same measurement conditions as those employed for the acquisition of the spectra to be corrected, straightforward selection of relative absorbance values

• Fast: very fast computation as the algorithm is not complex

• Universal: the compensation method can be applied in a vast amount of situations (different samples and sampling devices, different measurement conditions). Compensation of other gases different to H2O and CO2.

• This method do not use spectra smoothing, avoiding distortion of infrared bands from the analytes.

• Improvement of the results obtained employing commercially available software tool.

Description of the tech for sale

The presence of infrared (IR) absorbing molecules in the atmosphere, like for example water and carbon dioxide, is a well-known drawback of infrared spectroscopy. The spectral contribution of those atmospheric gases can hinder the accurate identification and quantification of the analytes of interest. To avoid spectral contributions of those atmospheric gases, usually the sample chamber or sampling device is closed and, in many cases, purged with dry air or nitrogen. Nevertheless, there is still an interest in eliminating the contribution of the spectra after spectra acquisition employing correction techniques when i) no purge for the sample chamber is available or does not work properly, ii) the sample chamber was opened and the operator underestimated the time necessary for equilibrating the conditions inside the sample chamber or iii) the sample chamber cannot be closed due to the employed sampling device. Currently, there are commercial software that compensate only CO2 and water vapour contribution in IR spectra. Due to this reasons, there is an interest in developing chemometric correction methods to compensate the contribution of atmospheric gases and other vapours in IR spectra. Researchers from University of Valencia have developed a method for atmospheric gases compensation in infrared spectra, as well as, the software to apply this method.


The invention procedure is an universally applicable, flexible and automatic method for the compensation of unwanted contributions of atmospheric gases and vapours. The algorithm is based on the measurement of a spectrum containing bands of the interfering gas to be eliminated, followed by an automatic estimation of the spectral contribution of the interferences in the spectra of the samples to be corrected. Then this contribution is compensated by a simple spectral subtraction. Furthermore, the method shows a great computational rapidity and can be applied in an universal way for different types of samples and measurement conditions.

Main advantages of its use

  • The method of the invention can be used in a vast amount of situations (different samples and sampling devices, different measurement conditions) and for the compensation of other gases different to H2O and CO2.


  • The main application of the technology is in the chemistry area, as a method to correct atmospheric gases influence in infrared spectra that improves selectivity and detection limits in the measurements.

Related keywords

  • Industrial Technologies
  • Physical Sciences and Exact Sciences
  • Protecting Man and Environment
  • Electronics, IT and Telecomms
  • Drying
  • Chemistry
  • Industrial Products
  • Computer related
  • Software services
  • Other software services
  • Other software related
  • analytical chemistry
  • Analyses Facilities
  • Tests facilities
  • Non Destructive Testing
  • Infrared spectroscopy
  • Infrared spectra
  • Gas/vapour compensation
  • Correction software
  • Scientific instrumentation

About Universitat de València

Public Agency from Spain

The University of Valencia, founded over five centuries ago by the Juries of Valencia, is a modern European public University, open to almost all branches of knowledge: social, economic and legal sciences, Basic experimental sciences, engineering and Tehcniques, health sciences, educational sciences and the humanities.
More than 41,000 undergraduate students, 4,000 postgraduate students, 2,000 students from other universities all over the world, take classes taught by more than 4,000 professors, lectures and researchers at our campuses (more than 440.000 square meters) with the support of over 1,700 administration and service staff.
Our university community is committed to being a university of reference: we are ranked 4º in Europe in receiving Erasmus students and 5ª in sending of students (Ranking Erasmus Mobility); It is fourth spanish university in research at the international level, ranking between 201 and 300, according to Shanghai Jiao Tong University Rankings.
The University of Valencia is working in a wide range of investigative fields. The results of this activity are applied in a variety of productive sectors and social areas. Information of interest for businesses and public bodies about the Scientific and Technological Capacity of the University of Valencia is made available and offered for socioeconomic transfer through its Research Results Transfer Office (OTRI).
The OTRI is a service that manages and assesses in the generation and transfer of University knowledge towards the industry, encouraging the University role as an active agent in the economic and social development; makes easier the access to the University of Valencia research facilities; manage the intellectual property of the research results produced in the University and carry out its valorisation for efficient transfer, and offers orientation of university research groups towards the needs of Business, promoting and guiding effective relationships for exchange of knowledge applied to the needs of social and industrial environment, making easier its information dissemination and transfer.

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