Envantage Method Translator GCC2011

Fast Temperature Programmed Gas Chromatography of n-Paraffins through C14 GULF COAST CONFERENCE Oct 11, 2011Paper Presentation - 30 minutes – 2:30 PM: Abstract # 053 Walter Spieksma David Balazs Jay Grills wspieksma@envantage.com www.envantage.com

Envantage Method Translator• Temperature programmed method translation• Nitrogen, Helium and Hydrogen• Dimethylsilicone or customized• Predict performance by EMT first principles• Real time demo after these slides www.envantage.com 2

Envantage Method Translator Walter began his talk by summarizing the main features of the Envantage Method Translator• Temperature programmed method translation• Nitrogen, Helium and Hydrogen• Dimethylsilicone or customized• Predict performance by EMT first principles• Real time demo after these slides www.envantage.com 3

Envantage Method Translator The Envantage Method Translator (EMT) is an interactive tool that can be used to help speed up gasoline range GC methods by graphically displaying quality measurements in a comparative• Temperature programmed method translation way• Nitrogen, Helium and Hydrogen• Dimethylsilicone or customized• Predict performance by EMT first principles• Real time demo after these slides www.envantage.com 4

Envantage Method Translator time This eliminates the expensive and consuming process of trial and error that must be used with other Method Translators• Temperature programmed method translation• Nitrogen, Helium and Hydrogen• Dimethylsilicone or customized• Predict performance by EMT first principles• Real time demo after these slides www.envantage.com 5

Envantage Method Translator The EMT does this by utilizing the Golay equation and applying Boltzmann’s gas diffusion laws as modified by Enskog- Chapman while at the same time considering the pneumatics of Hagen-• Temperature programmed method translation Poiseuille as well as….• Nitrogen, Helium and Hydrogen• Dimethylsilicone or customized• Predict performance by EMT first principles• Real time demo after these slides www.envantage.com 6

Envantage Method Translator ….well…you get the idea. There are a lot of chemical and gas properties behind this.• Temperature programmed method translation• Nitrogen, Helium and Hydrogen• Dimethylsilicone or customized• Predict performance by EMT first principles• Real time demo after these slides www.envantage.com 7

Envantage Method Translator After describing the features of the Envantage Method Translator Walter demonstrated a few real-world examples of analytical problems that can be addressed using the EMT• Temperature programmed method translation• Nitrogen, Helium and Hydrogen• Dimethylsilicone or customized• Predict performance by EMT first principles• Real time demo after these slides www.envantage.com 8

Envantage Method Translator of the In this excerpt of his talk just a few EMT tools will be described and one quick example will be given• Temperature programmed method translation• Nitrogen, Helium and Hydrogen• Dimethylsilicone or customized• Predict performance by EMT first principles• Real time demo after these slides www.envantage.com 9

Agilent Method Translator This popular tool has a nice interface to enter the original Method parameters 10

Agilent Method Translator And new column parameters 11

Agilent Method Translator A new pressure and temperature program is translated and displayed 12

Agilent Method Translator But how do you know how well this translated Method will perform? 13

Agilent Method TranslatorAs an example of how thetranslator works thedocumentation showscomparison chromatogramswith clear differencesbetween them Agilent Technologies, Inc., Application Note 228-294. 14

Agilent Method TranslatorThe column type anddimensions are quitedifferent from each other sothe example is confusing Agilent Technologies, Inc., Application Note 228-294. 15

Agilent Method TranslatorToggle back and forthbetween this slide and thenext to see the differencesin the chromatogram Agilent Technologies, Inc., Application Note 228-294. 16

Agilent Method TranslatorAgilent Technologies, Inc., Application Note 228-294. 17

Agilent Method Translator This tool is easy to use and you will get a chromatogram – but what if you need the new chromatogram to look like the one in your original Method? 18

Envantage Method TranslatorThe next 4 slides will show the Envantage MethodTranslator interface and two “before and after”chromatograms of an ASTM method that was translated 19

Note:•the quick assessment of Speed, Sensitivity, and Resolution•the change in run time•the similarity of the chromatograms•comparable chromatographing power 21

TPGC D 6730 Take a look at the front end of a chromatogram obtained by analyzing a sample with a standard ASTM Method, and the same sample chromatogram after the method has been optimized for speed with the EMT (toggle this slide with the next) 22

Fast TPGC Going from 60 to 11 minutes is considered by most to be a pretty nice speed-up! 23

So let’s take a closerlook at the EMTinterface 24

First the table 25

The table has familiarfunctionality:a place to enter originalMethod settings andnew Method settings 26

Any twocombinations ofColumn Length,Hold-up time, orHead Pressure canbe “locked” so thatthe third can becalculated 27

Footnotes at thebottom provide cluesto things you shouldbe aware of – likehigh pressures theinstrument may notbe capable of 28

There are alsooptions to displayColumn IDs inmm, time inseconds, andpressures inkPa, bar, or atm 29

Constant pressure,velocity, or temperaturecan be selected at thebottom of the table 30

Next, let’s look at the “Trilemma” display 31

The “Trilemma” displaysthe interdependence ofSpeed, Sensitivity, andResolution whentranslating a GasChromatographic method 32

“Speed” (speed gain)is the ratio of holduptime of the originalmethod and the newmethod. “Resolution”is the peak width ratio.“Sensitivity” is thepeak height ratio. 33

Speed gain can bechanged by the userwith the up anddown buttons; theresolution andsensitivityconsequences aredisplayed. 34

Pressing the“Optima” buttonresults in a speedgain proportional tothe ratio of theoptimum velocitiesof both methods.The “Integer” buttonrounds off speedgain so thattemperatures andramps are notfractional 35

The change ofSpeed, Sensitivity,and Resolution willbe displayed as thecarrier flow ischanged followingthe first principles ofthe trilemma ofchromatography. 36

The Trilemma displaywill also change ifcarrier flow changesare made in the tableor by grabbing anddragging the linearvelocity hash marks inthe “Plate Height” and“Plate Number” tabs 37

Now let’s take a lookat some of these tabs;in particular “PlateHeight”, “PlateNumber”, and“Chromatogram” 38

Let’s consider the “PlateHeight” tab 39

When GC methodparameters are entered ,EMT will calculate a HETPcurve of nC6 (similar to aVan Deemter curve) andlocate the linear velocity. 40

Note the absence of theTrilemma display. It does notappear until settings for anew Method are entered intothe 2nd column of the table. 41

As any goodchromatographerknows - the lowerthe HETP, the better 42

As expected thisASTM Method isoperating at optimumlinear velocity forthis column length,ID, film thickness,and carrier gas 43

EMT also calculatesand draws a “PlateNumber” chart. Thenumber changesdepending on thelinear velocity of thecarrier gas. 44

More is better and thebest can be achievedat the optimum linearvelocity of the carriergas 45

EMT also calculatesthe retention times ofn-alkanes throughnC14 and displaysthem graphically in a“chromatogram” 46

Click on the TrennZahl toggle to displaya Trenn Zahl chartunder thechromatogram 47

What is a Trenn Zahl Chart? www.envantage.com 48

It indicates how many peaks can elute between any twon-alkanes www.envantage.com 49

EMT calculates the peak widths of the theoretical n-alkane peaks in the theoretical chromatogram and thencalculates how many peaks with a similar width can beparked between any two n-alkane peaks www.envantage.com 50

In this example almost 130peaks can be parkedbetween n-C8 and n-C9 www.envantage.com 51

When optimizing Methods with complex chromatogramsthis can be a useful tool to indicate the new Method hasthe power to achieve the same separations as the originalmethod www.envantage.com 52

So how well does the EnvantageMethod Translator do all thiscalculating? www.envantage.com 53

EMT D 6733#1This slide and thenext showchromatogramsgenerated for ASTM6733 #1 and #2 (onecryogenic, one not) 54

EMT D 6733#2 55

D 6733 and EMT (Calc-Exp) (Calc-Exp) ASTM D 6733#1 EMT* ASTM D 6733#2 EMT**x /Exp /Exp tx [min.] tx [min.] % tx [min.] tx [min.] % 3 4.14 4.21 1.57 5.08 5.32 4.63 4 4.74 4.75 0.17 6.55 6.71 2.47 5 6.31 6.15 -2.50 11.12 11.02 -0.90 6 10.40 9.87 -5.13 23.39 23.07 -1.37 7 19.36 18.52 -4.34 40.58 40.42 -0.39 8 33.01 32.35 -2.00 57.70 57.80 0.17 9 48.85 48.71 -0.29 72.88 73.23 0.48 10 64.86 65.35 0.76 85.54 86.10 This table shows how 0.65 11 80.17 81.39 1.52 95.59 97.47 well the EMT 1.97 12 93.50 95.18 1.80 107.81 107.90 calculated retention 0.08 times compare to the ASTM published * Pgage = 192 kPa to get: (1) 18.5< t7 <20.3 (2) 32< t8 <34 (3) 92.8< t12 < 95.2 min. www.envantage.com values **Pgage = 150 kPa to get: (1) 39.5< t7 <42.0 (2) 57< t8 <59 (3) 106.4< t12 <108.8 min. 56

TPGC retention time of n-Paraffins EMT retention time 180 160Envantage Method Translator [min] 140 120 100 80 This chart plots how 60 well the EMT calculated retention 40 times for several samples correlate 20 with ASTM DHA values 0 0 20 40 60 80 100 120 140 160 180 ASTM [min] 57

To use the EnvantageMethod Translator enteroriginal Method settings inthe left column, and newMethod settings in thesecond column 58

When parameters for a newMethod are entered theTrilemma display appears andcomparative charts and graphsappear in the “PlateHeight”, “Plate Number”, and“Chromatogram” tabs 59

Hash marks indicating thelinear velocity can be“grabbed” with the mouse anddragged. Head pressure willchange in the table and theTrilemma display will showthe effects of this change 60

On the “Plate Number”tab, hash marks indicatinglinear velocity can also be“grabbed” with the mouse anddragged. In this example thenew Method has significantlymore plates and indicates thecolumn can be shortened toachieve the same separation asthe original method 61

On the“Chromatogram” tabtwo chromatogramsappearand, optionally, theTrenn Zahl chart. If thepeaks line up and theTrenn Zahl charts arevery similar then thenew Method may be agood replacement forthe original Method. 62

And now for a real-world example….. ASTM with H2 carrier• Helium prices rise for 10 years now• Advice: Change to Hydrogen carrier; use the same head pressure you used with helium www.envantage.com 63

Chromatographers are often advisedto simply switch to Hydrogen carriergas and keep the same carrier gaspressures used with helium. If youever tried this and met with poorsuccess – maybe this is why….. www.envantage.com 64

Keep PIn this example the same columndimensions are entered in both columnsof the table, making sure the column headpressure is the same and only the carriergas is different www.envantage.com 65

Optima Keep PWith Hydrogenthe Method ismore sensitive But there is less www.envantage.com separation 66

By inspectingthe linearvelocity on the“Plate Number”tab it is obviousthe columnflow is notoptimum 67

Click and dragthe hash line orclick on“Optima” in theTrilemmadisplay 68

Optimum Chromatograms Note the new head pressure; now the sensitivity is the just about the same And, more importantly, the separation is now the same. Your new chromatogram should match the old!www.envantage.com 69

Optimum Chromatograms Next, you might be wondering if you can shave more time off this Method by adjusting the column dimensions www.envantage.com 70

The answer is…..probably.But that’s another real-world example www.envantage.com 71

More information about theEnvantage Method Translator will beposted soon on our web site www.envantage.com 72

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Envantage Method Translator GCC2011

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Envantage Method Translator GCC2011 — Presentation Transcript