Surface properties of single wall carbon nanotubes (SWNT) subjected to different treatments were studied. Nitrogen, argon and carbon dioxide were used to study the adsorption properties and its influence by the presence of surface sites on SWNT, acid treated SWNT and heat treated SWNT. Special attention was paid to carbon dioxide adsorption, by means of adsorption microcalorimetry and Monte Carlo simulation considering the presence of surface oxygen groups. Monte Carlo simulation showed that these surface groups affect the adsorption properties of oxidized SWNT and their corresponding enthalpies of adsorption. The SWNT model systems, with open or closed nanotubes and with or without oxygen in their walls, showed agreement with the experimental enthalpies of adsorption. Thereby, Monte Carlo simulation and experimental enthalpies of adsorption are suggested as an adequate method of characterization of SWNT adsorption sites.

研究了经过不同处理的单壁碳纳米管（SWNT）的表面性能。用氮，氩和二氧化碳研究SWNT，酸处理的SWNT和热处理的SWNT上表面位点的存在，从而研究其吸附性能及其影响。考虑到表面氧基团的存在，通过吸附微量量热法和蒙特卡罗模拟对二氧化碳的吸附给予了特别关注。蒙特卡洛模拟表明，这些表面基团影响氧化的SWNT的吸附性能及其相应的吸附焓。SWNT模型系统具有开放或封闭的纳米管，壁上有或没有氧，与实验的吸附焓一致。从而，