基于轻汽油醚化体系的多元混合物泡点反应和汽液相行为研究
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摘要
汽车行业的飞速发展造成了汽车尾气对大气的严重污染，为了减少这方面的污染，无铅含氧及高辛烷值汽油的需求量变得越来越大诸如甲基叔丁基醚（MTBE）甲基叔戊基醚（TAME）这类醚类化合物，由于具有高的辛烷值和不释放CO等有害物质的优点，而得到了世界各国的普遍认可醚化反应成功地应用了反应蒸馏技术反应蒸馏技术是上世纪80年代发展起来的一种新型的化工工艺过程，该过程同传统的工艺过程相比具有投资少转化率高能耗低等优点
在反应蒸馏工艺与设备的设计过程中，一些热力学动力学的数据是非常重要的近年来，甲醇与高碳烯烃（C5以上）醚化反应的动力学热力学的研究越来越受到各国科研人员的重视关于醚化反应体系中的热力学汽液平衡数据大都是在常压下测定的到目前为止，还没有相关文献报道甲醇与碳六烯烃的等温带压汽液平衡数据，而且更没有关于轻汽油醚化体系的反应汽液相平衡实验测定的数据
本文自行设计并加工制造了一套实验装置首先，测定了甲醇分别与2,3-二甲基-1-丁烯（DM1B）和2,3-二甲基-2-丁烯（DM2B）在四个不同温度下的二元等温汽液相平衡数据，压力分别达到618.6kPa和498.9kPa，相对于常压下的数据来说更具有实际意义
其次，对甲醇和2-甲基-1-丁烯（2M1B）与2-甲基-2-丁烯（2M2B）在大孔阳离子交换树脂（D005）催化下的反应汽液相平衡数据进行了直接的测定并用本实验得到的Wilson模型参数和文献中的Wilson模型的参数进行反应汽液相平衡的组成计算，发现两者之间存在0.0111的平均偏差利用本文的数据回归的参数计算的汽液组成更接近实验值说明了反应汽液相平衡实验测定的方法不仅能够得到反应平衡常数，而且能够同时得到多组分的交互作用参数而且，在反应蒸馏的设计过程中，用该方法取得的数据更加准确
然后，测定了反应物泡点温度下的甲醇与异戊烯的宏观动力学数据，得出了异戊烯的转化率随反应时间变化方程的参数值并选用Gaussian软件，对醚化反应的机理以及各反应物在催化剂D005上的吸附进行了计算得出了甲醇与异物烯的醚化反应符合Langmuir-Hinshelwood（L-H）机理的假说
The rapid development of the automobile industry had resulted in seriouspollution of automobile exhaust on the atmosphere. In order to reduce this pollution,lead-free, oxygen and high-octane gasoline was demanded. Some ethers such asmethyl tertiary butyl ether (MTBE) and methyl tertamyl ether (TAME) had highoctane, didn’t release harmful substances, which had been widely recognized aroundthe world. The etherification reaction used successfully reactive distillationtechnology. Reactive distillation was a new chemical engineering process developedat1980s. There were some advantages of reactive distillation over the conventionalprocess: less investment, high conversion rate and low energy consumption.
Themodynamics and kinetics data were essential in the process of reactivedistillation and equipment design. More and more researchers focused on thethemodynamics and kinetics of the etherification reaction of methanol withhigh-carbon olefins (more than C5). However, most of the vapor-liquid equilibrium(VLE) data were measured at atmospheric pressure. So far, there was almost no reporton isothermal VLE data for methanol with high-carbon olefins in the open literatures,and no report of the experimental reactive VLE data of the system on light gasolineetherification.
A set of experimental device was designed and manufactured in this paper.Firstly, the binary isothermal VLE data of methanol+2,3-dimethyl-1-butene(DM1B),and methanol+2,3-dimethyl-2-butene(DM2B) were measured with the device at fourdifferent temperatures. The pressures of the two systems were achieved to618.6kPaand498.9kPa, respectively. So the data were more practical than that of atmosphericpressure.
Secondly, the reactive VLE data were directly measured for the systems ofetherification reaction of methanol with2-methyl-1-butene (2M1B) and2-methyl-2-butene (2M2B) in the presence of the macroporous sulfonic ion exchangeresin (D005). The reactive VLE data were calculated with the parameters of Wilsonmodels regressed from this paper and literature, respectively. And the averagedeviation between this paper and literature was0.0111. The result showed that thedata calculated with the regression parameters from experimental data in this paperwere closer to the experimental value. It was shown that muiti-components interactionparameters in activity coefficient models and reaction equilibrium constants can be obtained simultaneously by the measurement of reaction VLE, and the data is moreaccurate in the design of reactive distillation.
Finally, the macro-kinetics data of methanol and isoamylene were measured atthe bubble point temperature of reactant. The parameters in the equation of theconversion rate of isoamylene with the reaction time were obtained. The mechanismof etherification reaction and adsorption of reactants on the catalyst D005werecalculated by Gaussian software. It was shown that the mechanism of theetherification reaction for methanol with isoamylene was in accord withLangmuir-Hinshelwood (L-H) hypothesis.
在反应蒸馏工艺与设备的设计过程中，一些热力学动力学的数据是非常重要的近年来，甲醇与高碳烯烃（C5以上）醚化反应的动力学热力学的研究越来越受到各国科研人员的重视关于醚化反应体系中的热力学汽液平衡数据大都是在常压下测定的到目前为止，还没有相关文献报道甲醇与碳六烯烃的等温带压汽液平衡数据，而且更没有关于轻汽油醚化体系的反应汽液相平衡实验测定的数据
本文自行设计并加工制造了一套实验装置首先，测定了甲醇分别与2,3-二甲基-1-丁烯（DM1B）和2,3-二甲基-2-丁烯（DM2B）在四个不同温度下的二元等温汽液相平衡数据，压力分别达到618.6kPa和498.9kPa，相对于常压下的数据来说更具有实际意义
其次，对甲醇和2-甲基-1-丁烯（2M1B）与2-甲基-2-丁烯（2M2B）在大孔阳离子交换树脂（D005）催化下的反应汽液相平衡数据进行了直接的测定并用本实验得到的Wilson模型参数和文献中的Wilson模型的参数进行反应汽液相平衡的组成计算，发现两者之间存在0.0111的平均偏差利用本文的数据回归的参数计算的汽液组成更接近实验值说明了反应汽液相平衡实验测定的方法不仅能够得到反应平衡常数，而且能够同时得到多组分的交互作用参数而且，在反应蒸馏的设计过程中，用该方法取得的数据更加准确
然后，测定了反应物泡点温度下的甲醇与异戊烯的宏观动力学数据，得出了异戊烯的转化率随反应时间变化方程的参数值并选用Gaussian软件，对醚化反应的机理以及各反应物在催化剂D005上的吸附进行了计算得出了甲醇与异物烯的醚化反应符合Langmuir-Hinshelwood（L-H）机理的假说
The rapid development of the automobile industry had resulted in seriouspollution of automobile exhaust on the atmosphere. In order to reduce this pollution,lead-free, oxygen and high-octane gasoline was demanded. Some ethers such asmethyl tertiary butyl ether (MTBE) and methyl tertamyl ether (TAME) had highoctane, didn’t release harmful substances, which had been widely recognized aroundthe world. The etherification reaction used successfully reactive distillationtechnology. Reactive distillation was a new chemical engineering process developedat1980s. There were some advantages of reactive distillation over the conventionalprocess: less investment, high conversion rate and low energy consumption.
Themodynamics and kinetics data were essential in the process of reactivedistillation and equipment design. More and more researchers focused on thethemodynamics and kinetics of the etherification reaction of methanol withhigh-carbon olefins (more than C5). However, most of the vapor-liquid equilibrium(VLE) data were measured at atmospheric pressure. So far, there was almost no reporton isothermal VLE data for methanol with high-carbon olefins in the open literatures,and no report of the experimental reactive VLE data of the system on light gasolineetherification.
A set of experimental device was designed and manufactured in this paper.Firstly, the binary isothermal VLE data of methanol+2,3-dimethyl-1-butene(DM1B),and methanol+2,3-dimethyl-2-butene(DM2B) were measured with the device at fourdifferent temperatures. The pressures of the two systems were achieved to618.6kPaand498.9kPa, respectively. So the data were more practical than that of atmosphericpressure.
Secondly, the reactive VLE data were directly measured for the systems ofetherification reaction of methanol with2-methyl-1-butene (2M1B) and2-methyl-2-butene (2M2B) in the presence of the macroporous sulfonic ion exchangeresin (D005). The reactive VLE data were calculated with the parameters of Wilsonmodels regressed from this paper and literature, respectively. And the averagedeviation between this paper and literature was0.0111. The result showed that thedata calculated with the regression parameters from experimental data in this paperwere closer to the experimental value. It was shown that muiti-components interactionparameters in activity coefficient models and reaction equilibrium constants can be obtained simultaneously by the measurement of reaction VLE, and the data is moreaccurate in the design of reactive distillation.
Finally, the macro-kinetics data of methanol and isoamylene were measured atthe bubble point temperature of reactant. The parameters in the equation of theconversion rate of isoamylene with the reaction time were obtained. The mechanismof etherification reaction and adsorption of reactants on the catalyst D005werecalculated by Gaussian software. It was shown that the mechanism of theetherification reaction for methanol with isoamylene was in accord withLangmuir-Hinshelwood (L-H) hypothesis.
引文
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