[binglimau]

Dear all, would really appreciate assistant on this matter. I had breakdown this inquiry into 3 section:
1. our objective.
2. information we have in hand
3. some question



1. Our objective:
We have a solution "x". Objective is to find out the formulation of a solution "x" by doing analysis , and subsequently prepare the material our self.



2. Information we have in hand
We had tested the solution "x" using FTIR and GC-MS , subsequently proceed with NMR, and below is some figure derived:

A. A weighed portion of sample was dried under vacuum at 50 °C and the mass of residue determined gravimetrically. The sample contained 8.2 % nonvolatiles by mass.

B. Results of the derivatized SVOC Analysis
Ethylene glycol, 2TMS derivative, Estimated Concentration 2,969  (μg/mL)
Diethylene glycol, 2TMS derivative ,Estimated Concentration 103,166 (μg/mL)
Pimaric acid,TMS derivative ,Estimated Concentration 431  (μg/mL)
Isopimaric acid TMS derivative,  Estimated Concentration 166  (μg/mL)
Dehydroabietic acid TMS derivative , Estimated Concentration 484 (μg/mL)
Abietic acid TMS derivative , Estimated Concentration 1901 (μg/mL)

C. Proton (1H) and Carbon (13C) Nuclear Magnetic Resonance (NMR) Spectroscopy
A portion of sample was dried down, and the residue analyzed by 1H and 13C NMR in accordance with PSI Method ID 885 Revision 8 . Portions of the residue were dissolved in deuterated water (D2O) for analysis. Figure 7 shows the 1H NMR spectrum of the residue. The solvent peak appears at 4.8 ppm. Sharp signals at 3.73 and 3.66 ppm are due to diethylene glycol. No other compounds are clearly identifiable from the spectrum. The small sharp peak at 1.91 ppm may be acetic acid, but it is difficult to conclusively identify a compound which only has a single signal. There are low, unresolved overlapping signals spanning 0.8 to 2.5 ppm which may be the various rosin compounds found by GC-MS, but which cannot be clearly resolved by NMR.

Figure 8 shows the 13C NMR spectrum of the residue. Peaks at 71.52 and 60.35 ppm are due to diethylene glycol. The peak at 164.83 ppm is characteristic of a carbonyl (C=O) group, and is likely due to sodium carbonate, which is listed on the safety data sheet (SDS). There is a small peak at 62.45 ppm which could represent ethylene glycol, but cannot be conclusively determined. No other significant signals were observed. Based on the peak identifications and relative integral values, it is possible to get the relative mass ratio of sodium carbonate and diethylene glycol. These are present in a 1:4 carbonate:glycol mass ratio.

D. The sample contains 8.2% nonvolatile solids after drying under vacuum. This solid residue was evaluated by FTIR, with matches to acrylate copolymers and protein-based textiles. Further elucidation by nuclear magnetic resonance (NMR) spectroscopy would be one alternative to further examine the nonvolatile residue. Semi-volatile compounds were evaluated using GC-MS both with and without derivatization. Diethylene glycol was the largest component present, with approximately 7,000 ppm detected. Ethylene glycol was detected as well. A series of resin acids (pimaric acid, isopimaric acid, dihydroabietic acid, and abietic acid) were observed. These are typical components of rosin.
1H NMR confirmed the presence of diethylene glycol, and 13C NMR yielded peaks consistent with sodium carbonate and diethylene glycol. 13C NMR peak ratios indicate a 1:4 mass ratio of sodium carbonate to diethylene glycol.


3. Question
A. How can we find out the mass of each of the ingredient of the solution? So far from the report we had concluded there is 5 ingredients , but we do not know how to quantify it from the report:
1. Gum Rosin
2. Diethylen Glycol
3. Ethyln glycol
4. Sodium carbonate
5.  Acetic Acid

B. How can we dissolve the Solid state gum rosin  (raw material )in water ? would Acetic Acid does the trick?

C. Assuming i would like to make solution X red in color, what type of color pigment should i use?

D. Assuming i want to prepare 1000 litre of such solution in a IBC tank , can i mix this myself using the formulation below? is this correct? and would it match the final solution "x" specification?:
- 200kg gum rosin
- Diethlyn glycol 40kg
- ethylyn glycol 1kg
- sodium carbonate 10kg
- Acetic acid 5kg
- the rest will be water

E. Would really appreciate you guys advice , thanks in advance. Please let me know if further information required

[Borek]

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