Acute effect of trace component on capillary phase transition of n-alkanes

作者：Zhou Shiqi^*

来源：Journal of Statistical Mechanics: Theory and Experiment , 2011, P05023.

DOI：10.1088/1742-5468/2011/05/P05023

• surface effects (theory)

The significant influence of trace chain molecules on the capillary phase transition (CPT) of n-alkanes in porous carbon is investigated systematically for the first time using a classical density functional theory (DFT). It is discovered that: (i) the CPT of n-alkanes can be adjusted to occur at a much lower concentration than when the trace chain component is absent; (ii) potential parameters of the trace chain molecule, and its concentration in the bulk, show their acute effects within a particular range beyond which the modulation effect eventually becomes a bit constant; (iii) an acute modulation effect can be induced only if the number of segments per trace chain molecule is larger than or equal to that of the segments per alkane considered. The present discoveries have implications for the separation and enrichment of low concentration components, and easy and precise control of CPT.

• 出版日期2011-5
• 单位中南大学