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Chemometrics, the application of statistics to the field of chemical analysis, is often used in the oil and gas industry to make product quality predictions. Data typically obtained from process analytical tools such as Raman, near-infrared (NIR), gas chromatography (GC), and high-performance liquid chromatography (HPLC) provide oil and gas companies with valuable information about chemicals. important for Composition, physical properties and other parameters of oil, gas and blended fuels.
“Chemometrics is the way oil and gas companies can convert data into dollars, and it is becoming the de facto way to process the output of analytical equipment. We can track shipments faster, reduce processing costs and maximize value,” says Tom, director of chemometrics at Seattle-based MarqMetrix, a company that specializes in compositional analysis using Raman spectroscopy. Dearing said.
The information collected can be used to bring products to market faster, reduce processing costs, and maximize value.Marq Metrix
Chemometrics are particularly useful when deployed in conjunction with Raman spectroscopy as they transform information-rich spectra to accurately measure the composition of refined fuel properties in gasoline, jet and diesel fuels.
“Raman spectroscopy can be used to predict the different compounds that make up a sample. API number, Research Octane Number (RON) or Motor Octane Number (MON), Reed Vapor Pressure (RVP) analysis, or hydrocarbon ( C1–C6+), which can be used to predict the concentration of CO.2 and N2said Deering.
The challenge is that companies typically build predictive models using other types of instruments that are validated and approved by performance boards and meet ASTM standards. As a result, many labs may be reluctant to adopt new equipment as models may need to be rebuilt and revalidated from scratch.
Fortunately, experienced Raman spectroscopy providers simplify the process by offering ready-made starter models for the most common measurements in oil and gas. You can then modify and extend the model as needed. This significantly reduces the time and cost required to perform 30-50 reference analysis tests during new model development.
Dearing said MarqMetrix has midstream and downstream refineries and third-party test labs already using these core calibration models, including US Oil and Refining Co. (US Oil).
“By using the model, oil and gas companies can significantly reduce costs by moving directly to the model maintenance phase where one or two samples are collected for model validation and updating.” , Dearing added. “As the model is further developed, it can be shared and deployed to additional analyzers.”
MarqMetrix’s chemometrics experts can also assist in converting existing predictive models used in traditional analytical instruments to simplify instrument upgrades.
“The mathematical transformation allows customers to continue using validated models. MarqMetrix essentially collects data on two separate instruments [the old and the new] Then we map those differences to enable transformation,” says Dearing.
Chemometrics, the way oil and gas companies can translate data into dollars, is becoming the de facto way to process the output of analytical instruments.Marq Metrix
Streamlined testing
Pre-developed models and simplified conversion processes facilitate widespread use of Raman to complement more expensive and time-consuming tests.
In one promising area of application, lab personnel are using Raman spectroscopy to supplement octane number analysis when testing gasoline mixtures. Instead of using the knock engine to test a large number of samples during the mixing process, labs run the knock engine on the final sample. Once Raman spectroscopy confirmed that the specified RON or MON target was reached, the lab performed knock engine testing on that final sample to ensure the blend complied with his ASTM standards. confirm. This approach significantly increases throughput and processing speed within the lab, providing relevant operational information within seconds.
“Traditional physical testing can typically take two to three hours to run in the lab, but with Raman spectroscopy and chemometrics it can be done in a fraction of the time,” says Dearing.
“Raman spectroscopy with the addition of validated models enables laboratories to achieve faster turnaround, higher throughput and near real-time results for processes that need to be monitored, quantified or mixed.” “We will continue to do so,” added Dearing.
Streamlining lab testing has many benefits. For example, using Raman with validated modeling and chemometrics, processors can achieve more accurate octane ratings without over-mixing.
“just now, [oil and gas companies] You need to “yield” some of the octane number to make sure that when you bring the actual sample into the lab and analyze it, you’re not falling short of strict specifications. If it’s below target, it needs to be re-blended to bring the octane up to specification,” Deering explained.
“The incremental savings of not having to over-blend even a small amount like 0.2 or 0.3 translates into significant money in the long run. Time savings from having to reprocess out-of-spec fuel. It goes without saying,” said Dearing.
Raman device
Earlier Raman instruments were unreliable and required models specifically designed for analytical instruments. Now, with more stable solid-state systems, we can apply the core model to get reproducible results from unit to unit. For example, the MarqMetrix All-in-One is a near-exact copy of each device, so common mathematical models can be applied to multiple systems to produce consistent results.
The compact all-in-one is designed in a package 80% smaller than previous Raman instruments and has no moving parts. The system works with a wide range of both contact and non-contact probes suitable for oil and gas applications that can be replaced in seconds without the need for recalibration.
The instrument can be used for any sample (liquid, solid or gas) requiring Raman analysis and offers laboratories a great deal of measurement and functionality flexibility.
Processing and distribution and simplified predictive modeling play a key role in the oil and gas sector as it increasingly relies on chemometrics and Raman spectroscopy to drive quality assurance. This combination enables labs to achieve faster turnaround, higher throughput and real-time results for the processes they are trying to monitor, quantify or blend.
The combination of chemometrics and Raman spectroscopy streamlines lab turnaround, throughput and real-time test results.Marq Metrix
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