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Predictive method of hydrogen solubility in heavy petroleum fractions using EOS/G~E and group contributions methods

机译:使用EOS / G〜E和基团贡献法预测重质石油馏分中氢溶解度的方法

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Hydrogen solubility in heavy petroleum fractions was modelled with Peng-Robinson cubic equation of state combined with the UNIFAC solution model (EoS/GE) through a modified Huron-Vidal mixing rule (MHV1). As critical properties and molecular structure of heavy petroleum fractions are entering parameters in this thermodynamic model, the thermodynamic characterization procedure by contribution of functional groups proposed by Carreon-Calderon et al. (2012) was taken as starting point in order to develop a predictive method for estimating hydrogen solubility in such fractions. The functional groups considered in the original work were reviewed and modified, improving predictions and avoiding adjustment of model parameters. Besides, a procedure of mass distribution for the hydrogen-carbon ratio (HCR) of the petroleum fraction is proposed so that the hydrogen solubility can be estimated when more than one heavy petroleum fraction is present. This approach was tested with twelve heavy petroleum fractions in a wide range of pressure and temperature. These fractions include coal liquids, refinery products and a bitumen from Athabasca. The total average deviation was about 15%.
机译:通过修正的休伦-维达尔混合法则(MHV1),使用Peng-Robinson立方状态方程和UNIFAC溶液模型(EoS / GE),对重质石油馏分中的氢溶解度进行建模。由于重质石油馏分的关键性质和分子结构是该热力学模型的输入参数,因此通过Carreon-Calderon等人提出的官能团的贡献进行热力学表征。 (2012)被作为出发点,以开发一种预测方法来估算这些馏分中的氢溶解度。对原始工作中考虑的功能组进行了审查和修改,从而改进了预测并避免了模型参数的调整。此外,提出了一种用于石油馏分的氢-碳比(HCR)的质量分布程序,从而当存在多于一种的重质石油馏分时,可以估计氢的溶解度。在十二个重石油馏分中,在很宽的压力和温度范围内测试了该方法。这些馏分包括煤液,炼油产品和阿萨巴斯卡的沥青。总平均偏差约为15%。

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