Modeling of acid gases solubility in ionic liquid [BMIM][MeSO4] using CPA EoS

This work follows the thermodynamically modeling procedure to correlate the solubility of pure CO₂ and H₂S in [BMIM][MeSO₄]. Moreover, solubility of acid gases mixture was predicted. The bubble point pressure calculation method was applied in which CPA EoS is responsible for fugacity coefficients calculation of the components. The CPA EoS combines SRK and Wertheim's association term to handle non-ideal behavior of the polar and associating components.

The AADs% of H₂S+IL and CO₂+IL binary subsystems were calculated as 18.4 and 17.36 respectively. Moreover, AADs% equal to 27.26 and 6.74 were obtained for predicted partial pressures of CO₂ and H₂S, respectively.     

[BMIM][BF4]离子液体萃取脱除氧化柴油中砜类化合物

用离子液体1-丁基-3-甲基咪唑四氟硼酸盐（［BMIM］［BF₄］）萃取脱除氧化柴油中的砜类化合物,考察了萃取时间、萃取温度、离子液体与氧化柴油体积比、萃取级数对［BMIM］［BF₄］离子液体萃取脱除砜类化合物的影响。结果表明,与直接萃取脱除柴油中的含硫化合物相比,［BMIM］［BF₄］对氧化柴油中的砜类含硫化合物表现出更佳的萃取性能。在萃取温度30℃、［BMIM］［BF₄］/氧化柴油体积比为0.5时,经［BMIM］［BF₄］萃取3次,氧化柴油的硫质量分数从125.1 μg/g 降至6.2 μg/g。与传统的萃取剂N,N-二甲基甲酰胺（DMF）相比,［BMIM］［BF₄］的萃取脱硫率略低,但柴油回收率较高,且柴油的性质基本未变。     

[BMim][HSO_4]-H_2SO_4二组分物系密度的测定及相关热力学性质的研究

在常压和283.15~313.15 K的温度范围内,测定了离子液体1-丁基-3-甲基咪唑硫酸氢盐([BMim][HSO_4])与H_2SO_4二组分物系在全浓度范围内的密度,由密度数据计算了不同温度和浓度下混合物的超额摩尔体积(VE)和各组分的偏摩尔体积,基于半经验Zhang方程和NMSRK状态方程建立了二组分物系密度的预测模型。实验结果表明,两种模型的计算值与实验值具有较高的符合度,其平均绝对误差均不超过0.30%;在全浓度范围内二组分物系的VE均为正值,当x_(H_2SO_4)=0.60时,物系的VE达到最大,最大值为2.462 80 cm~3/mol(313.15 K);二组分物系中[BMim][HSO_4]的偏摩尔体积随x_(H_2SO_4)的增大而增大,H_2SO_4的偏摩尔体积随x_(H_2SO_4)的增大而减小。     

[BMIM]HSO_4/Al_2O_3的制备及其在甘油脱水反应中的应用研究

采用两步法合成离子液体[BMIM]HSO4,并采用浸渍法制备了[BMIM]HSO4/Al2O3催化剂,用IR、NMR、TG-DTG等方法对催化剂进行表征,并在常压连续流动的固定床反应器中考察其催化甘油脱水制备丙烯醛的性能,重点考察了催化剂离子液体的负载量、反应温度、体积空速对反应的影响及催化剂的稳定性。结果表明,较优条件为:[BMIM]HSO4/Al2O3催化剂w([BMIM]HSO4)为40%、反应温度为300℃、体积空速为6h-1,此时丙烯醛的摩尔选择性可达90.22%,甘油的转化率为100%,且催化剂在反应100h后仍保持75%的收率。     

Application of reaction equilibrium thermodynamic model for correlation of H2S solubility in ionic liquids [emim][Ace] and [hmim][Ace] using CPA equation of state

Correlation of H₂S solubility in ionic liquids [emim][Ace] and [hmim][Ace] was performed using CPA EoS. For taking into account the effect of possible chemical reactions, the Reaction Equilibrium Thermodynamic Model (RETM) was used. This model assumes that an AB₂ type reaction mechanism between two IL molecules and one H₂S molecule is taken place. Both of H₂S and ILs was considered as association components following 4C and 2B association schemes, respectively. First, pure components parameters achieved using CPA EoS. Consequently, the binary systems were investigated applying RETM. The results show AAD% equal to 4.75 and 12.44 for [emim][Ace] and [hmim][Ace] respectively.     

Implementation of CPA EoS for simultaneous solubility modeling of CO2 and H2S in ionic liquid [OMIM][Tf2N]

In this study, solubility of pure CO₂ and H₂S and their mixture in [OMIM][Tf₂N] modeled applying CPA EoS. CPA combines the SRK equation with an advanced association term, which is similar to that of SAFT. From a practical point of view, the target in the CPA project was to develop a thermodynamic model capable of describing complex equilibria of mixtures containing polar/associating chemicals through a simple procedure with respect to the SAFT.

The AAD% for binary systems, including H₂S+ IL and CO₂+ IL are 6.81, 5.21 respectively. Moreover, AAD% equal to 13.89 was achieved for the ternary system.