Nicholson Timothy M, Bhatia Suresh K
Division of Chemical Engineering, The University of Queensland, Brisbane, Queensland 4072, Australia.
J Phys Chem B. 2006 Dec 14;110(49):24834-6. doi: 10.1021/jp065102b.
We investigate the interaction of ethylene and ethane with a Cu-tricarboxylate complex and show that at low loadings the lighter molecule has a higher binding energy as a result of an increased interaction with the framework Cu and stronger hydrogen bonding with the basic framework oxygens. This leads to selective adsorption of ethylene by a factor of about 2 at low pressure, which is overcome by the stronger van der Waals interaction of ethane at high loadings, explaining recent literature data. The results suggest the possibility of separation of light hydrocarbons at low pressures or in trace amounts.
我们研究了乙烯和乙烷与一种三羧酸铜配合物的相互作用，结果表明，在低负载量时，较轻的分子具有更高的结合能，这是由于与骨架铜的相互作用增强以及与骨架碱性氧的氢键作用更强所致。这导致在低压下乙烯的选择性吸附系数约为2，而在高负载量时，乙烷更强的范德华相互作用克服了这种选择性吸附，这解释了近期文献中的数据。这些结果表明了在低压或痕量条件下分离轻质烃类的可能性。
