Table 1. Typical Composition of Champagne Wines: Concentrations and Corresponding Numbers of Molecules in a Simulation Box Composed of 4 × 104 Water Molecules.
| species | concentration | number |
|---|---|---|
| water | main species | 40 000 |
| ethanol | ∼12.5% vol/vol | 1760 |
| carbon dioxide | 10–12 g L – 1 | 188–224 |
| glycerol | ∼5 g L–1 | 45 |
| tartaric acid | 2.5–4 g L – 1 | 14–22 |
| lactic acid | ∼4 g L–1 | 37 |
| sugars | 0–50 g L–1 | 0–229 |
| VOCsa | ∼0.7 g L–1 | 1–4 |
| proteins | 5–10 mg L – 1 | 0 |
| polysaccharides | ∼0.2 g L–1 | 0 |
| polyphenols | ∼0.1 g L–1 | 0 |
| amino acids | 0.8–2 mg L – 1 | 0 |
| lipids | ∼10 mg L–1 | 0 |
| K+ | 0.2–0.45 g L – 1 | 4–9 |
| Ca2+ | 60–120 mg L – 1 | 1–2 |
| Mg2+ | 50–90 mg L – 1 | 1–3 |
| SO42– | ∼0.2 g L–1 | 2 |
| Cl– | ∼10 mg L–1 | 0 |
a
Volatile organic compounds. Reproduced from ref (1) with permission from the Royal Society of Chemistry.