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Determination method of angstrom pore size distribution with molecular statistical method

分子统计法测定埃孔径分布的方法

基本信息

批准号：
10554039
负责人：
KANEKO Katsumi
金额：
$ 7.49万
依托单位：
CHIBA UNIVERSITY
依托单位国家：
日本
项目类别：
Grant-in-Aid for Scientific Research (B).
财政年份：
1998
资助国家：
日本
起止时间：
1998 至 2000
项目状态：
已结题

项目摘要

The micropore structures of noncrystalline carbons were examined by high resolution molecular adsorption. In particular ultramicropore-range structures were studied carefully. The nitrogen and argon adsorption isotherms were measured over a wide relative pressure range of 10^<-9> to 1 by construction of a new adsorption equipment from ultrahigh vacuum level and high sensitive weight change system with the aid of a laser detector. This wide pressure adsorption equipment can measure the nitrogen adsorption isotherm of even ultramicroporous carbon at 77 K.We are trying to develop a new theory for analysis of these wide pressure range adsorption isotherms.A new analytical method of a density functional theory (DFT) for calculation. of the micropore size distribution of activated carbon from the high resolution nitrogen adsorption isotherms at 77 K was developed. The DFT can give the micropore size distribution from 0.5 to several nm. Also grand canonical Monte Carlo simulation (GCMC) simulation was applied to determine the micropore size distribution of activated carbon fiber using nitroged adsorption isotherm at 77 K.In this case, the selection of the weight function still gave a serious influence on the pore size distribution and thereby the method must be improved.The nitrogen and argon adsorption isotherms at 303 K was used for determination of ultramicropores of molecular sieve carbons with the aid of GCMC simulation. The micropore volume was determined by water vapor adsorption. The comparison of the experimental adsorption isotherm at 303 K with the GCMC simulated isotherm provides the exact ultramicropore size. This method can determine the ultramicropore size with the accuracy of 0.02 nm.

用高分辨分子吸附法研究了非晶碳的晶体结构。特别是超微孔范围的结构进行了仔细研究。采用<-9>高真空度、高灵敏度的变重系统和激光检测器，建立了一套新的吸附装置，在10 ~（-1）的相对压力范围内测定了氮、氩的吸附等温线。该宽压吸附装置可以测量77 K下甚至超微孔炭的氮吸附等温线。我们试图发展一种新的理论来分析这些宽压范围的吸附等温线。一种新的分析方法密度泛函理论（DFT）的计算。从77 K下的高分辨率氮吸附等温线，开发了活性炭的粒度分布的。密度泛函理论可以给出0.5到几nm的纳米尺度分布。此外，采用77 K下的氮化吸附等温线，应用巨正则蒙特卡罗模拟（GCMC）模拟来确定活性炭纤维的粒径分布。采用303 K下的氮、氩吸附等温线测定了微孔的孔径分布，并与传统的微孔孔径分布测定方法进行了比较分子筛炭的GCMC模拟。通过水蒸气吸附来测定水蒸气体积。在303 K下的实验吸附等温线与GCMC模拟等温线的比较提供了准确的超临界尺寸。该方法可测定超微粒子的粒径，准确度为0.02nm。