ICCAS OpenIR
Transesterification between ethyl acetate and n-butanol in compressed CO2 in the critical region of the reaction system
Gao, L; Wu, WZ; Hou, ZS; Jiang, T; Han, BX; Liu, J; Liu, ZM
2003-11-27
Source PublicationJOURNAL OF PHYSICAL CHEMISTRY B
ISSN1520-6106
Volume107Issue:47Pages:13093-13099
AbstractThe critical parameters, phase behavior, and density of the reaction system for the transesterification between ethyl acetate and n-butanol in compressed CO2 was determined. The isothermal compressibility K-T of the reaction system was calculated using the density data. On the basis of the phase behavior, the equilibrium constant K-x of the reaction at different conditions was measured, and the effect of pressure and composition on the K-x was studied in the critical region and outside the critical region of the reaction system. The Peng-Robinson equation of state was used to predict the K-x at different conditions. It was demonstrated that the K-x was very sensitive to pressure as the reaction mixture approaches the critical point (CP), bubble point (BP), and dew point (DP) in the critical region, whereas the effect of pressure on K-x was not significant outside the critical region. The sensitivity of K-x to pressure is closely related with the K-T of the reaction mixture. It is interesting that the K-x increases significantly as the pressure approaches the DP and CP, whereas it decreases as the pressure approaches the BP; i.e., pressure has the opposite effect on the K-x in the subcritical region and in the supercritical region. The Peng-Robinson equation of state can predict the K-x far from the critical region satisfactorily. However, the difference of the predicted results and the experimental data becomes larger as the reaction system approaches the CP, BP, and DP in the critical region. All the phenomena may be related with the special intermolecular interaction in the critical region, which affects the fugacity coefficients of the reactants and products. The results of this work also illustrate that the reaction can be carried out in the critical region with a suitable amount Of CO2, Whereas this is impossible without the solvent. Therefore, the clean solvent can also be used as a green solvent to adjust the critical point and phase behaviors of the reaction system, so that the reaction can take place in the critical region, and the reaction can be tuned effectively by pressure. Reaction in the critical region of the reaction mixtures is an interesting field where lots of new concepts and new experimental findings are to be investigated.
DOI10.1021/jp035078r
Indexed BySCI
Language英语
WOS IDWOS:000186762200026
PublisherAMER CHEMICAL SOC
Citation statistics
Cited Times:15[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.iccas.ac.cn/handle/121111/81040
Collection中国科学院化学研究所
Corresponding AuthorHan, BX
AffiliationChinese Acad Sci, Inst Chem, Ctr Mol Sci, Beijing 100080, Peoples R China
Recommended Citation
GB/T 7714
Gao, L,Wu, WZ,Hou, ZS,et al. Transesterification between ethyl acetate and n-butanol in compressed CO2 in the critical region of the reaction system[J]. JOURNAL OF PHYSICAL CHEMISTRY B,2003,107(47):13093-13099.
APA Gao, L.,Wu, WZ.,Hou, ZS.,Jiang, T.,Han, BX.,...&Liu, ZM.(2003).Transesterification between ethyl acetate and n-butanol in compressed CO2 in the critical region of the reaction system.JOURNAL OF PHYSICAL CHEMISTRY B,107(47),13093-13099.
MLA Gao, L,et al."Transesterification between ethyl acetate and n-butanol in compressed CO2 in the critical region of the reaction system".JOURNAL OF PHYSICAL CHEMISTRY B 107.47(2003):13093-13099.
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