Development Of Special Physical Property Data Package For Butadiene Extraction

Butadiene is a crucial raw material for the production of synthetic rubber,plastics,solvents,and other chemicals.The separation of butadiene is commonly achieved through extraction in order to obtain high-purity butadiene products.Accurate design of the butadiene extraction process requires precise physical property parameters,such as density,viscosity,phase equilibrium data,and thermodynamic properties.However,there are discrepancies and uncertainties in these data in the current literature,and a relatively comprehensive and reliable data package is lacking.Therefore,the development of a specialized property data package for butadiene extraction(SPGBE)is of significant importance for the research and application of butadiene purification.This study collected and estimated a large amount of equilibrium data related to butadiene extraction based on the actual processes using acetonitrile(ACN)and dimethylformamide(DMF),providing sufficient basic data for accurately simulating the butadiene extraction process.For the ACN method,a total of 105 vapor-liquid equilibrium data and 21 liquid-liquid equilibrium data were collected for at least one usable set of equilibrium data in each of the 105 systems.For the DMF method,a total of 62 vapor-liquid equilibrium data and 13 liquid-liquid equilibrium data were collected.The consistency of the vapor-liquid and liquid-liquid equilibrium data was checked using the area test method and the Othmer-Tobias equation,respectively.The accuracy of equilibrium data prediction methods,such as UNIFAC,UNIF-LL,UNIF-LBY,and UNIF-DMD,was verified using partial equilibrium data,and the results showed that the UNIF-DMD method had the highest accuracy in predicting the equilibrium data of all missing systems.Finally,the UNIF-DMD method was used to predict 403 sets of missing equilibrium data.Furthermore,while ensuring the reliability of the equilibrium data,the NRTL-RK and UNIQUAC thermodynamic models were used to correlate the experimental data and obtain the binary interaction parameters of the thermodynamic model.The accuracy of the obtained model parameters was verified,and the results showed that the NRTLRK and UNIQUAC models,after parameter improvement,can accurately describe the phase equilibrium behavior of the selected systems,with a relative error of less than 5%between the predicted and experimental values.Then,a physical property package module is developed in the domestic general process simulation software.The module adopts CAPE-OPEN standard to realize modular design,which improves the flexibility and reusability of the physical package module.The application of physical property package interface facilitates the import and export of physical property parameters and simplifies the development process.The application of COM component realizes the interoperation of physical property data between different software packages.Finally,the whole process of ACN and DMF butadiene extraction devices was simulated by using SPGBE and Aspen physical database respectively.The average deviations in the simulation results for the ACN method were 10.31% and 0.58%,while for the DMF method,the average deviations were 5.59% and 0.36%.The comparison results show that the special physical data package can be well applied to the simulation of butadiene extraction process,and the applicability of model parameters is good.The developed SPGBE in this paper has high accuracy and reliability,improves the accuracy and reliability of the design,optimization and control of butadiene extraction process,and provides scientific basis and technology for industrial practice.At the same time,it also provides the basis and guarantee for the development of a more environmentally friendly and economical butadiene extraction process.