PolymerIQ™ Model Builder

Build your own model to predict quantitative and qualitative properties, discriminate between materials and reveal correlations between spectra and properties.

Spectra Acquisition

• Integrated Spectral Acquisition
• Laser Power, Scan Count, Integration Time
• Automatic Optimization
• Labels and Saves Samples

Spectra Database

• Search by Parameters
• Select Spectra
• Add Property Data

Processing Package

• Normalisation – integrated spectrum area, peak area
• Smoothing – Fourier, Savitsky-Golay
• Base-lining – curve fit, linear
• Derivatives – first order, second order, simple first
• Spectral Regions – selection or exclusion of spectral regions

Chemometrics Package:
PCA Analysis – PC scores plot, PCA loadings, cumulative sample leverage, PC Residual variance
PCA Validation – spectral residual, residual variance, Mahalanobis distance
PLS Analysis - PC scores plot, regression coefficients, cumulative sample leverage, PC PRESS
PLS Validation – sample Y residual, sample Y variance, predicted versus expected
PCR Analysis - PC scores plot, regression coefficients, cumulative sample leverage, PC PRESS
PCR Validation - sample Y residual, sample Y variance, predicted versus expected calibration, predicted versus expected validation (leverage correction and cross validation)
Test Model – sample search, PLS/PCR
Discriminator – build and select models, PCA based

PolymerIQ Spectrum ID

Spectral Matching - used to identify material by comparing spectra to existing library of materials.
Build Libraries

• Search Database
• Customise Libraries

Processing Package

• Normalisation – integrated spectrum area, peak area
• Smoothing – Fourier, Savitsky-Golay
• Base-lining – curve fit, linear
• Derivatives – first order, second order, simple first
• Spectral regions – selection or exclusion of spectral regions

Matching Algorithms

• Correlation
• Euclidean
• Least Squares
• Absolute Values

PolymerIQ Prediction

Simple, easy-to-use software to analyse materials using pre-built models
Operator modes

• Advanced – collect spectra for models
• Operator – use designated models
• Customize results – traffic light system, QA ect.

Configurations
Solutions

• Scan Set-up, Type (batch, one-off, QA)
• Assign Models, Select Child Models
Models
General:
• Search Models
• Type – PCA, discriminant, quantitative, qualitative
Parameters
• Threshold
• Priority
• Enabling
Properties
• Search Available Properties
• Assign Properties
Properties
• Edit – property and display name, units
• Property Type – string, numeric, Boolean
Spectra
• Smart Search Database
• View Spectrum and Properties

Features & Benefits

Accurate	Versatile
By utilizing the i-Raman spectrometer with advanced software processing and a growing database of ratified polymers, PolymerIQ delivers accurate polymer identification and measurement, down to 0.1% (by weight) in seconds.	The material database that drives the PolymerIQ analysis process is easily added to. Supported by Gnosys, users can extend the range of materials and applications to which the PolymerIQ analyzer can be applied.
Portable	Fast
Compact and lightweight, the i-Raman weighs less than 7lbs and is easily transported in a convenient and durable carrying case, making it ideal for use both in the laboratory and at the production facility.	Reduce the time it takes to test, complete batches and take new products to market by complementing traditional laboratory test techniques with the real-time, non-destructive, portable testing made possible by the PolymerIQ polymer analysis software.
Non-destructive	Valuable
In addition to providing results in real time, the i-Raman is non-destructive to the testing sample, which further saves time by avoiding the need for preparation. Costs associated with wet chemistries are also avoided.	Become more time and cost efficient as well as more dependable for your customers. PolymerIQ helps you to address change requests and identify problems faster. You'll be quicker to develop and bring new products to market, creating new value for your customers.
Adaptable	Efficient
Small, non-destructive and instant, the i-Raman can be adapted for, or used directly in the production process. For example, at the point of extrusion, PolymerIQ software can provide real-time measurements and indicate necessary adjustments before expensive errors occur.	With reduction in actual testing time combined with the ability to pre-empt problems, the PolymerIQ polymer analysis software will help you to meet customer delivery deadlines every time.
Cost Saving
PolymerIQ reduces the number of costly, time consuming and destructive laboratory tests that are performed during batch production. It prevents costly errors by obtaining accurate test data at critical points in the production process, rectifying problems as they arise and avoiding expensive modifications and waste. Obtain tighter control over incoming stock quality, additive consumption and production costs overall.

Gnosys - Smart Material Analysis

Gnosys offers expertise in materials analysis and has developed PolymerIQ in parallel with the iRaman in order to provide cutting edge analysis of materials. Gnosys has an extensive history in chemometric analysis and its application to QA/QC and research & development, particularly for polymeric materials, compounds, and composites.

Gnosys' consulting services help you to:

• Develop Tailored Methods and Applications
• Increase Efficiency of Analysis through Time & Cost
• Predict 'Difficult to Measure' Properties
• Obtain Rapid and Non-destructive Quantitative and Qualitative Measurements

Gnosys recognizes that all companies have unique requirements and restraints on resources. We feel that training, building models, carrying out property measurements and turning data into knowledge all play a vital part in maximizing the return on investment and the development of your applications. Our consulting service offers a number of benefits to take advantage of, such as specific model building and QA/QC services. . If you're not sure whether PolymerIQ is the best solution for your application, Trialing is also available to test our software with your samples before you buy. For clients that require additional expertise, or or would benefit from chemical, kinetic or property measurements, Gnosys offers our wide-ranging facilities to perform these measurements so you don't have to. . .. Gnosys also offers advanced training in the use of PolymerIQ and the application of the i-Raman.

Application Examples

Application - Polyethylene oxide PEO assessment ▪ pharmaceutical ▪ QA/QC ▪ identifying poor samples
Solution – PolymerIQ is able to correlate the high quality Raman data to identify samples of PEO that had poor viscosity. The spectral variance was very small, thus only detectable through PolymerIQ, which was able togive a rapid non-destructive methodology to a critical QC issue.
Application - Polycarbonate (PC) age condition ▪ power sector ▪ asset management/ in use material assessment ▪ remaining life-predictions
Solution - Measurement of polymer parts was required to give a quality measurement in order to predict the remaining life of those parts in service. This required a rapid, portable and non-destructive measurement. PolymerIQ and the i-Raman delivered a very accurate measurement and correlation in order to identify embrittled material prior to mechanical failure.
Application - FR qualifying and quantifying ▪ compounders and masterbatchers ▪ QA/QC ▪ qualifying and quantifying FR type and concentration
Solution –PolymerIQ and the i-Raman enabled the difficult measurement of a brominated flame retardant type concentration and a polymer matrix to be made in a rapid, non-destructive manner. This saved time and resources for a rapid turn-around in polymer formulation for use in the compounding industry.
Application – Antimony trioxide (ATO) in polyethylene ▪ compounders and masterbatchers ▪ QA/QC ▪ qualifying and quantifying ATO concentration
Solution - Though previous methods were either time-consuming or gave only elemental information, PolymerIQ, paired with the i-Raman, performed the measurement of ATO (FR synergist) concentration in Polyethylene in a single, non-destructive measurement. This rapid measurement saved time and resources for a rapid turn-around in polymer formulation, for use in the compounding industry.
Application – LOI measurement ▪ compounders and masterbatchers ▪ QA/QC ▪ correlating ATH in EVA to LOI fire scores
Solution – In place of time consuming fire-score measurements, PolymerIQ can be used to measure concentrations of ATH in EVA and predict the LOI scores. PolymerIQ can now be used with basic training in a manufacturing/ processing environment and as a QA method for compounding and masterbatching.

How Gnosys works

Gnosys offers flexible service that can be tailored to any client's needs, however, a typical working relationship revolves around:
1. Initial discussion on requirements and the best methods to meet those needs.
2. Calibration Samples – client to supply known samples over the entire range of interest – e.g. 0%, 5%, 10%, 15% and 20% additive in a polymer.
3. Related Property Data – client can supply this, or let Gnosys gather this information for you using our world class facilities.
4. Building a Database - Gnosys will scan all of your samples to build a database of your spectra.
5. Chemometrics - Gnosys will then carry out the chemometrics using PolymerIQ, then build a model to measure the property metric of interest.
6. Testing - if required, using 'unknown/blind' samples.
7. Measuring - you can then use the model with PolymerIQ and the i-Raman to measure samples
8. Modificstion - Gnosys can also provide modified additions to the PolymerIQ software for tailored reporting e.g. QA/QC, traffic light, dashboard, and template reports.

Let us help you with your solution today!

FAQ

What is the extent of industrial applications of this technology with current clients?
PolymerIQ is for the polymer industry, particularly for compounders and masterbatchers. Gnosys has carried out extensive assessment with companies in the fire retardant (FR) additives industry and, as a result, FR differentiation and qualification of formulations containing FRs were key drivers in the development of PolymerIQ with the i-Raman. Now, PolymerIQ and the i-Raman are being trialed with various segments in the polymer sector and along the supply chain; from polymer producers, additives manufacturers, compounders and masterbatchers to product producers and end-users.
We are also trialing PolymerIQ in other industry sectors. This includes thermoplastics used in the packaging industry as well as composites and engineering thermoplastics used in power, aerospace and consumer electronic applications. In the power sector, PolymerIQ is being used to identify materials and to measure properties and performance in order to advise both power equipment manufacturers and the utilities in making asset management decisions. These techniques are also able to address thermosetting and reactive resins for casting, molding and coating. In these applications, both liquid and solid measurements are readily undertaken to qualify materials and to monitor their reaction.

Does detection of the same additive in a different polymer matrix need to be calibrated for each matrix?
PolymerIQ utilizes a database to make its measurements, meaning it must have a previous encounter with the material in order for it to be analyzed. Thus, an additive calibration made in one polymer matrix cannot be used directly on an untested polymer. However, a reference sample can often be used to link the calibrations, thus a full calibration set is not required to work in the new matrix.

Can PolymerIQ test for a HALS (hindered amine light stabilizers) type UV stabilizer in a colored LLDPE masterbatch or, alternatively, in a molded plaque?
Amines give strong and distinct Raman spectra in our system, so PolymerIQ can test for HALS. However, the level to which this can be done is not concrete. PolymerIQ detection level is stated as ~0.1%, but we cannot always be exact about this level as it is dependent on material and also on whether the analysis is an identification or concentration measurement. PolymerIQ can look at pellets or molded plaques, plaques being easier to measure.
The best alternative is to send the samples of interest (for example, HALS in LLDPE at the top & bottom concentration range) directly to Gnosys so that they might identify the limitations (samples that do not contain carbon black at this stage are requested). If the samples look promising, more structured trials would be in order at that time.

Can PolymerIQ be used by the recycling industry?
Yes, PolymerIQ meets a number of requirements in the recycling industry. PolymerIQ can be used to identify plastic type as well as additives; this is particularly useful in areas such as WEEE where regulations on Brominated flame retardants are in place. PolymerIQ also acts as a QA method for the qualifying of processed plastics. For more information on this topic, please use the contact link.

Is Raman a better way to measure additives than FTIR?
Although Raman and FTIR are complimentary techniques in many ways, and Gnosys has previously used our PolymerIQ methodologies with FTIR, we have ultimately chosen the i-Raman for the plastics industry due to its wide spectral range and high resolution. These advantages allow us to obtain high quality data over a broad range of organic and inorganic materials and achieve high levels of molecular discrimination that FTIR often cannot achieve. The i-Raman is also compact and lightweight, allowing the device to be portable.The handheld probe allows for the measurement of a variety of sample types such as pellets, large panels or liquids. Raman also does not require direct contact and can be applied beneath the surface, typically requiring no sample preparation Overall, the i-Raman system has proven to be more adaptable than FTIR.

Does PolymerIQ suffer from "false positives"?
Other spectroscopy based devices often give false positives as they match specific peaks or simply overlay parts of the spectra. PolymerIQ uses all of the spectral data in its analysis and thus can identify anomalies that typically result in false positives.