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Large-scale DAE-constrained optimization applied to a modified spouted bed reactor for ethylene production from methane
Computers & Chemical Engineering ( IF 4.3 ) Pub Date : 2018-03-19 , DOI: 10.1016/j.compchemeng.2018.03.017
D.M. Yancy-Caballero , L.T. Biegler , R. Guirardello

In this paper, a modified spouted bed reactor is proposed to enhance the yield of the oxidative coupling of methane (OCM). Optimization techniques are used to carry out a theoretical analysis of ethylene production via OCM and define some optimal operating conditions of the reacting system. A model-based DAE-constrained optimization strategy is proposed and applied to the OCM process to illustrate the computational capability of the proposed formulation, and the theoretical feasibility of the proposed reactor. The model developed for the reactor is a one-dimensional model composed of material, energy, and momentum balances. This model along with the kinetic model constitute a non-linear and differential-algebraic system, which is discretized using orthogonal collocation on finite elements with continuous profiles approximated by Lagrange polynomials. The resulting algebraic collocation equations are written as equality constraints in the optimization problem, which is solved with the IPOPT solver within the optimization-modeling platform. An initialization routine based on simulations was carried out to guarantee convergence in optimizations. Results from simulations and optimizations showed the potential of combining different reactor concepts to improve the ethylene production from natural gas via oxidative coupling of methane.



中文翻译:

大规模DAE约束优化技术应用于从甲烷中生产乙烯的改进型喷头床反应器

在本文中,提出了一种改进的喷射床反应器,以提高甲烷氧化偶联(OCM)的产率。优化技术用于通过OCM进行乙烯生产的理论分析,并定义反应系统的某些最佳操作条件。提出了一种基于模型的DAE约束优化策略,并将其应用于OCM过程,以说明所提出配方的计算能力以及所提出反应堆的理论可行性。为反应堆开发的模型是一维模型,由材料,能量和动量平衡组成。该模型与动力学模型一起构成了非线性和微分代数系统,使用正交配置对有限元进行离散化,该有限元具有由拉格朗日多项式近似的连续轮廓。所得的代数搭配方程式在优化问题中被写为等式约束,可以在优化建模平台内使用IPOPT求解器进行求解。进行了基于仿真的初始化例程,以确保优化收敛。模拟和优化的结果表明,结合使用不同的反应器概念,可以通过甲烷的氧化偶联提高天然气中乙烯的产量。进行了基于仿真的初始化例程,以确保优化收敛。模拟和优化的结果表明,结合使用不同的反应器概念,可以通过甲烷的氧化偶联提高天然气中乙烯的产量。进行了基于仿真的初始化例程,以确保优化收敛。模拟和优化的结果表明,结合使用不同的反应器概念,可以通过甲烷的氧化偶联提高天然气中乙烯的产量。

更新日期:2018-03-19
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