New Thermodynamic Model of Equilibrium States of Gas Hydrates Considering Lattice Distortion
New Thermodynamic Model of Equilibrium States of Gas Hydrates Considering Lattice Distortion
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考虑晶格畸变的气体水合物平衡态新热力学模型
DOI：
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发表时间：
2009
期刊：
影响因子：
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通讯作者：
C. Peters
中科院分区：
文献类型：
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作者：
Ángel Martín;C. Peters
提出了一种新的计算单一和混合笼形水合物相边界的模型，该模型明确地考虑了由客人引起的晶格畸变。引入畸变化学势作为关联参数，模拟晶格畸变。发现了相关畸变化学与客体分子直径与最小占据水合物空腔平均直径之比之间的关系，支持了对该术语的物理解释。该模型具有类似的精度，以前的笼形水合物热力学模型，同时减少相关参数的数量，根据系统的一个或两个。
A new model for the calculation of single and mixed clathrate hydrate phase boundaries which explicitly takes into account lattice distortion caused by the guests is presented. Lattice distortion is modeled by introducing a distortion chemical potential, which is treated as a correlation parameter. A relationship between the correlated distortion chemical and the ratio between the molecular diameter of the guest and the mean diameter of the smallest occupied hydrate cavity has been found, which supports the physical interpretation of this term. The model has similar accuracy to previous clathrate hydrate thermodynamic models while reducing the number of correlated parameters to one or two depending on the system.