UNIFAC法估算甲烷在常三柴油中的高压溶解度

Calculation on the solubility of methane in atmospheric No. 3 diesel oil under high pressures with UNIFAC method

为满足富氢气氛下,煤直接液化基础数据的需要,选择大港常三柴油做溶剂,用自建的循环法测定气体高压溶解度试验装置,测定甲烷在柴油中的高压溶解度数据(273.45 K-293.75 K,1.79 MPa-8.06 MPa)。根据柴油特点假设其基团构成,用n-d-M-LP法计算柴油的平均结构。用UNIFAC方程估算同条件下的溶解度值,结果估算值与实验值比较,当芳香环和环烷环上有2个取代基时,平均相对误差为3.36%,满足数据缺乏下的估算要求。

In order to meet the requirement for basic data of coal direct liquefaction in hydrogen-rich gas, data on the high-pressure solubility of methane in atmospheric NO. 3 diesel oil of DaGang were collected under the conditions of temperature from 273.45 K to 293.75 K and pressure from 1.79 MPa to 8.06 MPa with a self-established apparatus that measured the solubility in the circular way. The average structural parameters of diesel oil were calculated with n-d-M-LP method under the assumption of the kinds of group in diesel oil. The solubility values calculated under the same condition with UNIFAC showed that the average relative errors to the experimental values was 3.36% when 2 substituted groups on every aromatic ring and naphthenic ring and that the calculation method was feasible for estimation.