XP 1-2#

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This set of experiments is concerned with the effect on ASW that the presence of an impurity, ethane, have on it’s structure and properties.

  • Total number of samples: 20

Documents

Samples#

List#

flag alt > 2020_12_03

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Data Managment

  • ✅ Reduction

  • Processing

  • Analysis

  • Review

flag alt > 2021_01_29

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Data Managment

  • Reduction

  • Processing

  • Analysis

  • Review

flag alt > 2021_02_24

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Data Managment

  • Reduction

  • Processing

  • Analysis

  • Review

flag alt > 2021_03_08

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Data Managment

  • Reduction

  • Processing

  • Analysis

  • Review

flag alt > 2021_03_24

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Data Managment

  • Reduction

  • Processing

  • Analysis

  • Review

flag alt > 2021_07_16

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Data Managment

  • Reduction

  • Processing

  • Analysis

  • Review

flag alt > 2021_08_16

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Data Managment

  • Reduction

  • Processing

  • Analysis

  • Review

flag alt > 2021_09_15

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Data Managment

  • Reduction

  • Processing

  • Analysis

  • Review

flag alt > 2021_09_18

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Data Managment

  • Reduction

  • Processing

  • Analysis

  • Review

flag alt > 2021_09_19

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Data Managment

  • Reduction

  • Processing

  • Analysis

  • Review

flag alt > 2021_09_20

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Data Managment

  • Reduction

  • Processing

  • Analysis

  • Review

flag alt > 2021_09_23

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Data Managment

  • Reduction

  • Processing

  • Analysis

  • Review

flag alt > 2021_09_27

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Data Managment

  • Reduction

  • Processing

  • Analysis

  • Review

flag alt > 2021_10_04

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Data Managment

  • Reduction

  • Processing

  • Analysis

  • Review

flag alt > 2021_10_07

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Data Managment

  • Reduction

  • Processing

  • Analysis

  • Review

flag alt > 2021_10_11

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Data Managment

  • Reduction

  • Processing

  • Analysis

  • Review

flag alt > 2021_10_18

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Data Managment

  • Reduction

  • Processing

  • Analysis

  • Review

flag alt > 2021_10_22

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Data Managment

  • Reduction

  • Processing

  • Analysis

  • Review

flag alt > 2021_10_24

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Data Managment

  • Reduction

  • Processing

  • Analysis

  • Review

flag alt > 2021_10_28

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Data Managment

  • Reduction

  • Processing

  • Analysis

  • Review

Grouping#

Litterature Data#

Hudson#

Dartois#

Typical ethane sample

The followings is an example of all the outputs generated by the reduction routine. All those results can find for each of the samples by clicking on their respective card above.

DR1#

Right Figures show the samples post DR1

DATA/DATA-Processing/PAC/XP_1-2/Samples/2020_12_03/Plots/DR/DR1_2020_12_03_Full-range_U.png

Fig. 29 Ethane 2020_12_03 DR1 (pre Baseline correction), whole range#

DR2#

» Band assignment and evolution with T#

Range 1#

3 main peaks (labelled as E1, E2, E3 with decreasing wavenumber).

Warning

There seems to be also a very small feature between E2 and E3 that has not been reported in the following litterature:

could be ethane:oxirane (7:3) mixed clathrate spectrum

DATA/DATA-Processing/PAC/XP_1-2/Samples/2020_12_03/Plots/DR/DR2_2020_12_03_sub-range_1.png

Fig. 30 description#

Note

Should I try to plot them with an offset

♠ Peaks#

E1

  • assignment: 2972 cm-1

  • vibrational mode: ν7

Frequency

DATA/DATA-Processing/PAC/XP_1-2/Samples/2020_12_03/Plots/DR/DR2_2020_12_03_PeakE1-freq.png

Fig. 31 description#

Absorbance

DATA/DATA-Processing/PAC/XP_1-2/Samples/2020_12_03/Plots/DR/DR2_2020_12_03_PeakE1-Abs.png

Fig. 32 description#

E2

  • assignment: 2942 cm-1

  • vibrational mode: ν1, ν8 + ν11

Frequency

DATA/DATA-Processing/PAC/XP_1-2/Samples/2020_12_03/Plots/DR/DR2_2020_12_03_PeakE2-freq.png

Fig. 33 description#

Absorbance

DATA/DATA-Processing/PAC/XP_1-2/Samples/2020_12_03/Plots/DR/DR2_2020_12_03_PeakE2-Abs.png

Fig. 34 description#

E3

  • assignment: 2880 cm-1

  • vibrational mode: ν5

Frequency

DATA/DATA-Processing/PAC/XP_1-2/Samples/2020_12_03/Plots/DR/DR2_2020_12_03_PeakE3-freq.png

Fig. 35 description#

Absorbance

DATA/DATA-Processing/PAC/XP_1-2/Samples/2020_12_03/Plots/DR/DR2_2020_12_03_PeakE3-Abs.png

Fig. 36 description#

Comments

  • No band frequency shift is observed within the margin of error

  • Intensity shift: E1 and E3 see some changes in their maximum absorbance peak and hence are good tracers for the crystalisation processes

  • May be a slight peak sharpening is present ?

  • Evaluation of the peaks at lower wavenumber are necessary to reveal the full picture of phase change

Range 2#

Warning

Baseline correction is not great within this range

  • Have I performed a previous

DATA/DATA-Processing/PAC/XP_1-2/Samples/2020_12_03/Plots/DR/DR2_2020_12_03_sub-range_2.png

Fig. 37 description#

♠ Peaks#

E4

  • assignment: 1460 cm-1

  • vibrational mode: ν8

Frequency

DATA/DATA-Processing/PAC/XP_1-2/Samples/2020_12_03/Plots/DR/DR2_2020_12_03_PeakE4-freq.png

Fig. 38 description#

Absorbance

DATA/DATA-Processing/PAC/XP_1-2/Samples/2020_12_03/Plots/DR/DR2_2020_12_03_PeakE4-Abs.png

Fig. 39 description#

E5

  • assignment: 1370 cm-1

  • vibrational mode: ν6

Frequency

DATA/DATA-Processing/PAC/XP_1-2/Samples/2020_12_03/Plots/DR/DR2_2020_12_03_PeakE5-freq.png

Fig. 40 description#

Absorbance

DATA/DATA-Processing/PAC/XP_1-2/Samples/2020_12_03/Plots/DR/DR2_2020_12_03_PeakE5-Abs.png

Fig. 41 description#

Range 3#

Note

Intersting because band splitt

  • How do I take that into account in reduction process

    • peak 6 remain the same

    • peak 7 is the appearing one

  • Check litterature review on what have been said there

DATA/DATA-Processing/PAC/XP_1-2/Samples/2020_12_03/Plots/DR/DR2_2020_12_03_sub-range_3.png

Fig. 42 description#

♠ Peaks#

E6

  • assignment: cm-1

  • vibrational mode: ? (not reported in Dartois)

Frequency

DATA/DATA-Processing/PAC/XP_1-2/Samples/2020_12_03/Plots/DR/DR2_2020_12_03_PeakE6-freq.png

Fig. 43 description#

Absorbance

DATA/DATA-Processing/PAC/XP_1-2/Samples/2020_12_03/Plots/DR/DR2_2020_12_03_PeakE6-Abs.png

Fig. 44 description#

E7

  • assignment: cm-1

  • vibrational mode: ν6

Frequency

DATA/DATA-Processing/PAC/XP_1-2/Samples/2020_12_03/Plots/DR/DR2_2020_12_03_PeakE7-freq.png

Fig. 45 description#

Absorbance

DATA/DATA-Processing/PAC/XP_1-2/Samples/2020_12_03/Plots/DR/DR2_2020_12_03_PeakE7-Abs.png

Fig. 46 description#

Comments

» Adjustments#

BC lower range #

After processing the 2021_09_15, I decided to reduce the range of the Baseline correction in order to exclude the lower part of the spectrum that create some errors (cf Plots in the margin)

  • range modified from index 0 to index 40 (new baseline coorected scan have _U at the end of it’s name)