采用单床方法模拟了10床5组分变压吸附提H₂，考察了吸附剂配比和均压次数的影响。结果显示，在计算条件下，H₂摩尔分数99.955%，CO含量0.26 mmol/kmol，氢气回收率90%，与工业数据吻合；从吸附结束到顺放结束，负载曲线峰面动态移动，N₂和CO负载曲线有"驼峰"形成；逆放和冲洗2个步骤解吸的杂质量最多，再生结束后CH₄残余3.29%，残余比例最小；随着分子筛比例的增加，H₂纯度增加，CO含量降低，进入分子筛层CO₂量增加，分子筛比例70%较为合适；均压次数从2次增加至5次，H₂回收率从83.6%增加至90%，原料气处理能力从1.4 mol/s减小至0.999 mol/s。

A single bed method with non-isothermal model is used to simulate the purification of hydrogen from five-component mixture by ten-bed pressure swing adsorption (PSA) facility.The effects of the ratio of adsorbents and the frequency of equal pressure on adsorption properties are studied.The results show that H₂ purity reaches 99.955 mol% with a CO content of 0.26 mmol/kmol and the H₂ recovery rate is 90% under the conditions of calculation,which are consistent with industrial data.The loading curve peak surface has been moving dynamically from the end of adsorption to the end of path-wise pressure release (PP),and the loading curves of both N₂ and CO form "hump" shape.The discharge (D) step and PP2 step release the most impurities and the residual amount of methane is 3.29% at the regeneration end,which is the least residual amount.With the increasing ratio of molecular sieve,H₂ purity increases,CO content decreases,the amount of CO₂ entering molecular sieve layer increases.The optimum ratio of molecular sieve is 70%.The H₂ recovery rate increases from 83.6% to 90% and the capacity of handing feed gases decreases from 1.4 mol·s^-1 to 0.999 mol·s^-1 when the frequency of equal pressure increases from 2 to 5.