Group contribution method for Henry's Law constant of aqueous hydrocarbons

Enthalpy and solubility data of CO2 in water and NaCl(aq) at conditions of interest for geological sequestration

“…A comparison was also carried out using the correlation model of Sedlbauer et al [32] (SOCW), which was proposed for the description of hydration properties of non-electrolytes and adapted recently also for the calculation of the Henry's law constant of acid gases [14,15]. The values at 323.1 and 373.1 K at the standard pressure p 0 calculated with the SOCW model are −15.0 and −7.9 kJ mol −1 CO 2 , respectively, which is again in excellent agreement with our results.…”

“…Several authors published correlations of the Henry's law constants k H of CO 2 along the saturation line of water derived from the solubility data, the most recent and representative being that of Fernandez-Prini et al [3] adopted as an IAPWS guide line. 1 Sedlbauer and Majer [14] and Sedlbauer et al [15] complemented the k H values of Fernandez-Prini et al [3] by related data resulting from the calorimetric and volumetric measurements and presented a new correlation model allowing to calculate the Henry's law constant as a function of both temperature and pressure up to at least 573 K and 100 MPa. The only correlation of the Henry's law constant for the ternary system incorporating the effect of the NaCl concentration is that of Drummond [10] for CO 2 along the saturation line of water.…”

Mutual solubilities of hydrocarbons and water with the CPA EoS

“…This property expressed as a function of temperature and pressure is useful for correlating or predicting hydrocarbon solubility in water, provided that the fugacity of the coexisting organic phase can be calculated. A group contribution scheme based on a hydration model was already used to predict the Henry's law constant of aqueous systems of alkanes, alkenes, alkylcycloalkanes, and alkylbenzenes [9].…”

Phase equilibria of binary mixture of carbon monoxide and water at elevated temperatures and pressures

“…Since Henry's law does not provide satisfactory results for this system because of the high pressure employed during measurements (Sedlbauer et al, 2002;Majer et al, 2008), the experimental data have been correlated using a cubic equation of state, van der Waals (Eq. (1), with Adachi-Sugie mixing rule.…”