奥美拉唑对映体的模拟移动床色谱分离过程模拟

模拟移动床色谱已成为一种重要的手性药物制备技术,其技术关键在于最佳运行点的确定。由于其过程复杂,用数学模型来确定最佳运行点,求解难度大,计算时间长。今以考虑传质阻力与轴向弥散的模拟移动床模型为基础,采用线上求解法,将模型方程沿空间方向离散,得到一组常微分方程,然后运用MATLAB提供的常微分求解器求解这一偏微分方程组,模拟了奥美拉唑对映体的模拟移动床色谱分离过程。研究结果表明,线上求解法结合MATLAB常微分求解器可快速、准确地求解模拟移动床模型,用于模拟移动床色谱分离过程的实时控制与优化。     

基于NSGA-Ⅱ的模拟移动床色谱分离过程多目标操作优化

多目标优化策略被应用于模拟移动床过程的操作优化中，采用一种基于Pareto最优解的多目标优化算法——NSGA-Ⅱ算法，以分离联萘酚对映体的模拟移动床色谱分离过程作为研究对象，利用模拟移动床TMB数学模型，以分离性能指标作为目标函数进行了多目标操作优化设计。优化结果表明，NSGA-Ⅱ算法得到的非劣解在目标空间分布均匀，算法收敛性和鲁棒性好。基于NSGA-Ⅱ算法的面向分离性能多目标优化设计方法为模拟移动床分离过程的工艺设计和操作指导提供了有效的工具。     

间歇模拟移动床色谱分离过程的建模与优化

间歇模拟移动床(I-SMB)的过程是多列色谱过程,它是对传统模拟移动床(SMB)技术的改进。在I-SMB过程中,将两个端口切换的时间间隔分为两个子时间间隔,产品只在第一个子时间间隔中被收集。介绍了间歇模拟移动床的基本原理,并采用色谱平衡理论的基础上实现两组分的分离。然后通过SMB与I-SMB的比较结果证明无论在线性吸附等温线还是在非线性吸附等温线条件下,I-SMB都能够比SMB实现更高的分离性能。     

吸附剂孔内扩散对模拟移动床分离过程的影响

为考察孔内扩散对模拟移动床分离过程的作用,采用综合速率模型对其进行研究,其中流动相模型为轴向扩散活塞流,颗粒相为Fiek定律描述的扩散方程,液相和固相之间的吸附平衡采用改进的Langmuir吸附等温线．对流动相和颗粒相分别采用有限元Galerkin法和正交配置法,沿空间方向离散化后的常微分方程组运用MATI。AB的ODE求解器求解．在验证了模型和离散方法对模拟移动床吸附分离过程计算的可靠性的基础上,模拟了EMD53986对映体的模拟移动床分离过程,跟文献中使用忽略孔内传质过程的模型得到的计算值相比,模拟值与实验值吻合得更好,表明孔内扩散传质过程对模拟移动床模拟计算的重要性．     

模拟移动床色谱拆分D-塔格糖和D-半乳糖的模拟研究

模拟移动床色谱操作参数的模拟和优化对实际分离生产具有重要的指导意义。本文采用平衡扩散模型,对模拟移动床色谱分离D-塔格糖和D-半乳糖进行了模拟研究,根据三角形理论确定了其最佳操作参数,并考察了各区柱数配置、切换时间和分离区流量等变化对分离效果的影响,验证了模拟移动床操作参数的敏感性和模型建立的必要性。     

基于平衡理论的模拟移动床工艺参数鲁棒寻优

在模拟移动床的实际工作过程中,由于进料浓度和温度变化以及色谱柱填充不一致等因素影响,初始工艺参数作业下的分离性能可能会出现下降。首先对模拟移动床的机理模型进行了分析;然后在色谱分离平衡理论的基础上,使用有限元正交配置法求解模型得到新的工艺参数点;最后以果葡糖浆组分分离为对象,使用所提方法求解有扰动作用时的优化工艺参数,结果显示果糖纯度的合格率从81%提高到99%,证明其具有良好的鲁棒性。     

烷烃中少量芳烃的固定床和模拟移动床吸附

在实验研究烷烃中少量芳烃的固定床吸附动态过程和模拟移动床吸附动态过程的基础上,用固定床和模拟移动床线性推动力模型进行了模拟计算,可得到如下结论:在本文的实验条件下,固定床吸附动态模型和模拟移动床吸附动态模型拟合的结果均与实验值相符;但从技术性能指标和技术经济指标两个角度都反映出对脱除烷烃中的少量芳烃的吸附分离过程,用固定床吸附过程比模拟移动床吸附过程更具有可行性。这些结果为在直链烷基苯的生产过程中,降低循环烷烃中芳构化物的含量,实现延长脱氢催化剂的寿命,提高烷基苯的产量提供了技术基础。     

微粒群算法在模拟移动床色谱分离过程优化中的应用

运用微粒群算法开发出一种非线性模拟移动床(SMB)色谱分离过程的优化策略.该优化策略将模拟移动床的最大吸附剂生产率作为优化问题的目标函数,采用模拟移动床的TMB模型来计算微粒群优化算法的适应值.采用该优化算法对手性化合物萘酚对映体(bi-naphthol)的模拟移动床色谱分离操作条件进行了优化,仿真结果表明了该优化策略的有效性.     

模拟移动床技术在中药有效成分分离中的应用

模拟移动床色谱(simulatedmovingbedchromatography)或简称模拟移动床(SMB)是连续色谱的一种,是模拟移动床技术和色谱技术的结合,是以模拟移动床的运转方式来实现色谱的连续分离。该文主要从模拟移动床的发展、结构、原理及其特点、难点和该项技术在中药有效成分分离中的应用等几个方面做一介绍。引用文献20篇。     

间歇色谱与模拟移动床色谱分离奥美拉唑对映体的比较

用纤维素三苯基氨基甲酸酯涂敷型手性固定相和含0.1%二乙胺的乙醇溶液,研究了模拟移动床色谱和间歇色谱对奥美拉唑对映体的拆分.其中,间歇色谱分离过程采用基于线性推动力模型的动力学模型研究,优化出生产能力最大的操作条件.以生产能力、溶剂消耗和回收率三个指标比较了这两种色谱操作模式.结果表明:模拟移动床色谱分离效果优于间歇色谱,生产能力为间歇色谱的5倍以上,回收率则高出1.28倍以上,溶剂消耗则可节省约22%,     

SMB两组份色谱分离过程建模与优化

基于TMB建模方法建立了二组份SMB色谱分离过程的理想数学模型。以提高产品纯度和收率为目标,依据Massimo三角形理论,研究了主要操作参数对SMB性能的影响,针对具体的分离对象进行了操作条件寻优仿真,并以此指导实际分离实验,得到满意的结果。     

Nonlinear model-based repetitive control of simulated moving bed process

The simulated moving bed (SMB) process, after more than 40 years of successful operation in the petro-chemical industry, has emerged as one of the most important separation processes in the pharmaceutical, fine chemical, and biotechnology fields. However, optimal operation and automatic control of the SMB process is still challenging because of its complex dynamics caused by periodic port switching and inherent nonlinearity. In this research, a novel advanced control technique for the SMB process has been proposed. In the proposed technique, regulation of both extract and raffinate purities measured at the terminal time of each switching period is performed by a nonlinear repetitive controller which utilizes the past period data as feedback information. The repetitive controller was designed on the basis of a fundamental nonlinear model of the SMB process. Through application to a numerical SMB process, it was found that the proposed control technique performs quite satisfactorily against model error as well as set point and disturbance changes.     

Comparative Analysis of Single‐Cascade Five‐Zone and Two‐Zone SMB Systems for the Separation of a Ternary Amino Acid Mixture

A ternary separation usually requires the use of two simulated moving bed (SMB) units in series. Since an increase in the number of SMB units leads to a significant increase in capital and operational costs, the use of a single SMB unit is preferred if its structure can be modified to treat a ternary separation. Such a modified single SMB unit has been typified by a five‐zone SMB or a two‐zone SMB so far. The separation performances‐of a five‐zone SMB and a two‐zone SMB are compared in this paper by using the ternary amino acid mixture as a model system. A five‐zone SMB is designed with the safety margin method while a two‐zone SMB is optimized using genetic algorithm. A five‐zone SMB based on the maximum allowable safety margin, although it may not guarantee the global optimum solution, results in much better separation performance than a two‐zone SMB at its global optimum state.     

Micro-simulated moving bed (μSMB) systems: A numerical study

Continuous chromatographic separation processes like simulated moving bed (SMB) systems have been employed in petrochemicals, sugar, and more recently, in pharmaceutical industries by virtue of their superior separation efficiency. Miniaturization of chromatography-based analytical techniques (e.g., high performance liquid chromatography, micro-HPLC or μHPLC) has already been successfully demonstrated in the last few years owing to the rapid development in MEMS technology. With such a rapid progress in technology, it is definitely possible to realize the miniaturization of a powerful continuous chromatographic process such as SMB. Micro-SMB (μSMB) systems could not only inherit the merits of μHPLC, but also provide efficient separation of compounds such as isomers and enantiomers that are otherwise very difficult to isolate. In this paper, new simulations of the performance of a μSMB system for the separation of a mixture of phenol and o-cresol, using a robust numerical algorithm developed that mimics the dynamic operation of the μSMB system, are presented. A systematic parametric sensitivity analysis that addresses the effects of various process parameters on the performance of the μSMB system is also presented. High purities and yields of both phenol and o-cresol is achieved in the μSMB by judicious choice of process parameters.     

Advance in novel simulated moving bed technology

模拟移动床作为一种高效的吸附分离技术一直备受关注,其应用领域逐步延伸至制药行业,用于手性药物和生物制品的分离。近年来,为了满足日益复杂和困难的分离需求,一些新型的模拟移动床分离技术被相继提出。本文从模拟移动床的结构设计和操作模式两个方面对这些新型技术进行归类,着重综述和评价了它们的技术原理和开发思路,并展望了模拟移动床分离技术的研究方向和发展趋势。     

Improved performance of simulated moving bed process using column‐modified feed

A “FeedCol” strategy was developed to improve separation performance in simulated moving bed (SMB) processes. In the FeedCol operation, a short chromatographic column was simply added to the SMB unit and feed was supplied by a pulse input through the column to the SMB process. Because the feed was made in the shape of partially separated chromatographic peaks through the column, the purities in the raffinate and extract products were improved efficiently in the SMB process. All the performance parameters for a binary mixture with low selectivity (α = 1.1) were better for the FeedCol operation than for the conventional SMB operation (2‐2‐2‐2). Because the feed injection through the feed column was synchronized with the SMB process during the switching period, two new operating variables were introduced: injection length and injection time. Their effects on the suggested strategy were evaluated in terms of performance parameters through a detailed simulation study. © 2010 American Institute of Chemical Engineers AIChE J, 2011     

二甲苯模拟移动床分离过程建模与仿真

模拟移动床（SMB）是混合二甲苯分离的重要技术。模拟移动床区域回流比是决定产品质量的关键参数。在真实移动床（TMB）建模方法基础上,结合实际工况数据,建立了模拟移动床吸附分离过程机理模型,并通过分析区域回流比对产品质量的影响,得到不同产品质量要求以及进料品质的情况下区域回流比的操作区间。仿真结果表明,TMB建模方法能较好地描述模拟移动床实际工况。基于机理模型对操作区间的分析结果可以为模拟移动床分离过程的工艺设计和操作提供指导意见。     

模拟移动床技术进展

综述了近年来模拟移动床技术多方面的进展。模拟移动床吸附分离已由石油化工领域逐步扩展到精细化工尤其是制药行业。模拟移动床模型和设计方法的研究更趋深入。模拟移动床反应器将反应和分离结合在一起,可以大大提高过程的效率,虽未进入实用但潜力很大。     

Pore diffusion and solid diffusion models: Application in countercurrent chromatographic separation process

Difference and equivalence of two approaches for countercurrent chromatographic separation process were discussed. Although the two approaches are different in the TCC process in terms of model equations and definition of phase concentrations and flow rate ratios as well as complete separation regions expressed by flow rate ratios etc., they are equivalent in the SMB process. Experimental and simulation results are consistent with theoretical analysis. In application of the SMB process, it is of crucial importance to use these two approaches consistently.