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Calculating the amount of oxygen dissolved in water can be useful in many Engineering disciplines but it is especially the case in Environmental Engineering. This page is presenting a step by step method to calculate the saturation concentration of oxygen in water. The calculations are focusing on equilibrium of water with air but a similar method could be used with another gas mixture containing oxygen, or even to calculate the saturation concentration in water of another component of the gas.
In order to calculate the saturation concentration of oxygen in water, the Engineer must know the following data :
\(P_g\) = ratio of partial pressure of oxygen to total pressure or mole fraction in gas (\(\text{mol O}_2 / \text{mol gas}\))
\(P_T\) = total gas pressure (\(\text{atm}\))
\(T\) = temperature of the water (\(^\circ\text{C}\))
\(H\) = Henry's law constant for oxygen at the temperature of interest (\(\text{atm}\))
The partial pressure ratio of oxygen in the gas phase is expressed as:
\[ P_g = \frac{P_{\text{O}_2}}{P_T} \]Air is composed of approximately 20.95% oxygen, which means that the partial pressure ratio of oxygen in ambient air is about 0.2095 (\(P_{\text{gas}} = 0.21\text{ atm}\) at 1 atm total pressure).
The calculation of the mole fraction of oxygen per mole of water is done using Henry's law, which links the mole fraction of a component in the liquid phase to its equilibrium partial pressure in the gas phase:
\[ x_g = \frac{P_T}{H} \cdot P_g = \frac{P_{\text{gas}}}{H} \]With :
\(x_g\) = molar fraction of oxygen in the water (\(\text{mol O}_2 / \text{mol water}\))
\(P_T\) = total pressure of the gas (\(\text{atm}\))
\(H\) = Henry's constant (\(\text{atm}\))
\(P_g\) = partial pressure fraction of oxygen in the gas phase (\(-\))
The next step is to calculate the concentration of oxygen in moles per liter of water. By definition, the molar fraction of oxygen in water is:
\[ x_g = \frac{n_g}{n_g + n_w} \]With :
\(x_g\) = molar fraction of oxygen in the water (\(\text{mol O}_2 / \text{mol water}\))
\(n_g\) = number of moles of oxygen in one liter of water (\(\text{mol}\))
\(n_w\) = number of moles of water in one liter of water (\(\text{mol}\))
To simplify the calculations, it is assumed that \(n_w \gg n_g\), which means that:
\[ x_g \approx \frac{n_g}{n_w} \implies n_g = x_g \cdot n_w \]Now that the molar concentration per liter of water is known, it can be converted to mass concentration by multiplying by the molecular weight of \(\text{O}_2\):
\[ C_g = n_g \cdot M_g \cdot 1000 \]With :
\(C_g\) = mass concentration of oxygen in water (\(\text{mg/l}\) or \(\text{ppm}\))
\(n_g\) = number of moles of oxygen in one liter of water (\(\text{mol/l}\))
\(M_g\) = molecular weight of oxygen (\(\text{g/mol}\))
| Partial Pressure Ratio (\(P_g = P_{\text{gas}} / P_T\)): | 0.210 (-) |
| Mole Fraction in Water (\(x_g\)): | 4.88E-06 mol gas / mol water |
| Moles Dissolved per Liter (\(n_g\)): | 2.71E-04 mol gas / L water |
| Saturation Concentration (\(C_g\)): | 8.682 mg/l (ppm) |
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An Engineer would like to calculate the amount of oxygen that should be dissolved in a pond at equilibrium (he can then compare to the actual amount measured by analysis to diagnose possible water quality issues)
\(P_T\) = total gas pressure (\(\text{atm}\)) = 1 atm
\(T\) = temperature of the water (\(^\circ\text{C}\)) = 20 \(^\circ\text{C}\)
Henry's law constant for oxygen at the temperature of interest =
41100 atm for oxygen in water
\(P_g = \frac{P_{\text{O}_2}}{P_T} = 0.2095\)
\(x_g = \frac{P_T}{H} \cdot P_g = \frac{1\text{ atm}}{41100\text{ atm}} \times 0.2095 = 5.097 \times 10^{-6}\text{ mol gas / mol water}\)
\(n_w = \frac{1000}{18} = 55.56\text{ mol of water / l of water}\)
\(n_g = x_g \cdot n_w = 5.097 \times 10^{-6} \times 55.56 = 2.83 \times 10^{-4}\text{ mol gas / liter of water}\)
\(C_g = 2.83 \times 10^{-4} \times 32 \times 1000 = 9.06\text{ mg/l}\)
The saturation concentration of oxygen in water at 20\(^\circ\text{C}\) (with \(H = 41100\text{ atm}\)) is 9.06 mg/l.
MyEngineeringTools.com has developed a free Excel calculator that allows you to calculate the gas saturation concentration in water : Gas saturation concentration in Water calculator Excel
Warning : this calculator is provided to illustrate the concepts mentioned in this webpage, it is not intended for detail design. It is not a commercial product, no guarantee is given on the results. Please consult a reputable designer for all detail design you may need.
Sources
[Chopey] Handbook of Chemical Engineering calculations, Chopey et al, McGraw Hill, 2004