“常用公式”在线计算,“设计手册”在线查询
L亮氨酸发酵过程的模拟优化
Optimisation of the Start-Up Process
gPROMS实验设计功能的应用研究
gPROMS在化工中的应用
Dynamic Process Modeling Combining Models and Experimental Data to Solve Industrial Problems
A HYBRID CFD COMPARTMENTALIZATION MODELING FRAMEWORK FOR THE SCALEUP OF BATCH COOLING CRYSTALLIZATION PROCESSES
Dimensional Analysis and Inference for Gproms
An integrated modelling framework for the design, operation and control of marine energy systems

An integrated modelling framework for the design, operation and control of marine energy systems.pdf

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海洋能源系统的集成建模框架的设计、操控和控制

Rapidly varying fuel costs, environmental
concerns and forthcoming emissions regulations
impose a pressure on ships to operate in a more
efficient, cost-effective and environmentally friendly
way. The propulsion power and energy producing onboard
installation– i.e. the marine energy system – is
the main contributor to the overall cost-effectiveness,
emissions footprint and efficiency of the vessel. To
meet those stringent and often contradicting requirements,
the sophistication and, hence, complexity of
modern marine energy systems increases, while operating
frequently at extreme conditions and close to
the design limit. The challenge of making both existing
and new marine energy systems more energy
efficient and environmentally friendly imposes a need
for new approaches for system configuration, design,
operation and control that are able to consider the energy
production and conversion onboard ships (fuel,
mechanical, electrical, thermal) in an integrated manner.
At the same time, simultaneous assessment of
performance, safety, and reliability of marine systems,
especially under real service conditions and transient
operation modes are becoming increasingly important
for both ship-owners and classification societies.
To date, however, there is no formal methodological
framework to cover the aforementioned needs in
a holistic way. In this paper we present a novel approach
for integrated dynamic process modelling and
simulation of marine energy systems. Our methodology
is based on the mathematical modelling of the
dynamic thermofluid behaviour of components including
energy conversion and rotating machinery such
as heat exchangers, evaporators, compressors, turbochargers,
pumps, valves, pipes, etc. The component
process models are generic, reconfigurable, suitable
for different types of studies and valid for a wide
range of operating conditions. Then, following a hierarchical
decomposition approach the lower-level component
models are used to synthesise higher level subsystems
and, in turn, complete energy systems. Experimental
or service data are used for model verification
and validation. The models are implemented
in state of the art process modelling tools, where they
are coupled with representations of operational scenarios/
profiles. In that manner we are able to perform
a variety of model-based studies and applications like
steady-state and dynamic simulation, design, optimisation
and control of user-defined energy system configurations
under realistic service conditions.
The developed modelling framework aims at providing
model-based decision support on: a) energy
and emissions optimal design of onboard machinery,
b) performance evaluation under real-service dynamic
conditions for the whole mission envelope of
the system, and c) assessment of the potential and
operational capabilities of innovative designs. The
main benefit from this holistic approach is that the
steady-state design characteristics, off-design operational
modes and dynamic/transient behaviour can be
simultaneously assessed and/or optimised in a unified
and consistent modelling framework. The presented
approach can significantly aid the design process for
new systems as well as the energy management, performance
prognosis, and control optimisation and reconfiguration
for existing vessels. The main characteristics
and benefits of our methodology are illustrated
via the dynamic modelling of a marine combined cycle
system.

A HYBRID CFD COMPARTMENTALIZATION MODELING FRAMEWORK FOR THE SCALEUP OF BATCH COOLING CRYSTALLIZATION PROCESSES.pdf

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混合CFD区分建模领域按比例放大的间歇冷却结晶过程

This article may be used for research, teaching, and private study purposes. Any
substantial or systematic reproduction, redistribution, reselling, loan, sub-licensing,
systematic supply, or distribution in any form to anyone is expressly forbidden.
The publisher does not give any warranty express or implied or make any representation
that the contents will be complete or accurate or up to date. The accuracy of any
instructions, formulae, and drug doses should be independently verified with primary
sources. The publisher shall not be liable for any loss, actions, claims, proceedings,
demand, or costs or damages whatsoever or howsoever caused arising directly or
indirectly in connection with or arising out of the use of this material.

Dimensional Analysis and Inference for Gproms.pdf

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Gproms量纲分析和推理

In the thesis we describe a dimensional analysis and inference system for a strongly typed language for simulation of physical systems, gPROMS. We show how gPROMS can benefit from such a system and we believe that it will increase the physical correctness of the simulation models.
Our proposed dimensional inference system is based on generating dimensional constraint equations from the model equations using formal inference rules. The resulting constraints constitute a linear system of equations which is solves by means of linear algebra. If the system of equations is solvable the simulation model is proven to be dimensionally consistent.
We have implemented our dimensional inference algorithms in Java in the form of a stand-alone tool. The tool will be used by the industry to quickly locate physical errors in simulation models resulting from dimensionally inconsistent equations.

Dynamic Process Modeling Combining Models and Experimental Data to Solve Industrial Problems.pdf

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动态过程建模:结合模型和实验数据来解决工业问题

gPROMS在化工中的应用.pdf

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gPRoMS V3.0是帝国理工学院(Imperial College London)PSE(Process
System Enterpri se Ltd.)研究中心2006年推出的最新研究成果,具有卓越的化
工过程建模、求解与优化功能。
论文通过3个典型化工过程研究了gPRoMS的模拟、参数估计、优化及与外
部软件EXCEL的连接功能,通过1个较复杂过程,研究了gPROMS模拟复杂过程
的能力。即(I)以邻二甲苯氧化生产苯酐过程研究gPROMS的模拟功能; (2)
以偏三甲苯液相空气氧化过程研究gPROMS的参数估计及其与ExcEL的连接功能;
(3)以青霉素半连续发酵过程研究gPRoMS的优化功能;(4)以甲醇一水双塔精
馏过程研究gPRoMS模拟复杂过程的能力。
建立了邻二甲苯氧化生产苯酐过程二维动态模型方程,利用gPROMS求解,
通过模拟结果及进料口温度和冷却剂温度对反应的影响分析,表明gPRoMS能很
好模拟邻二甲苯氧化生产苯酐过程。
利用gPROMS估计偏三甲苯液相空气氧化过程动力学参数,估计结果同文献
计算值相比,更与试验数据吻合;完成外部数据库ExCEL文件,通过gPROMS的
连接,实现偏三甲苯液相空气间歇、连续氧化过程数据的在线导入导出。
在青霉素发酵过程非结构模型的基础上,在满足比生长率、基质浓度及体积
约束的条件下,以青霉素浓度最大化为目标建立优化函数。用gPROMS求解、寻
优。通过调节初始浓度和改变加料方法,获得最优结果是原始结果的五倍多,表
明gPRoMS具有强大的优化功能。
以新型甲醇精馏过程一主塔为高压塔和常压塔双塔精馏为例,在gPRoMS中构
造模型,逐级分解模块。在给定的分离条件下,通过进料流率、回流比对塔顶产
物浓度的影响,进料板处温度及塔内温度的变化,证实模拟结果符合理论分析与
实际操作过程,表明gPROMS能方便地模拟复杂精馏过程。

gPROMS实验设计功能的应用研究.pdf

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Based on the oxidation process for liquid 1,2,4-trimethylbenzene witll air,the gPROMS experiment de—
sign is studied.The method and steps of gPROMS experiment design are presented through designing experiment.estimating
parameters and checking model and parameters.

L亮氨酸发酵过程的模拟优化.pdf

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以L-亮氨酸发酵过程中菌种~基质~产物关系的动力学模型为基础 应用gPROMS软件 采用增广Lagrange
乘子法对该发酵过程进行了模拟优化 提出了使用T@9806菌株进行发酵的优化实验方案 使产物浓度由22.734g~
L-1提高到31.024g~L-1 比已有的优化结果提高了4.154g~L-1 大幅提高了实验效率。

Optimisation of the Start-Up Process.pdf

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多段蒸发系统启动时的工艺优化

Evaporation processes are of great importance in the chemical industry.
They are commonly used to concentrate a solution containing the desired
product. In most cases the solvent is either water or an alcoholic solvent,
and heat is supplied by condensing steam. The dynamics of an evaporator
is described by differential algebraic equations, where differential equations
correspond to the mass and energy conservation laws. A challenging feature
of evaporation processes is their hybrid behaviour. Due to phase transitions,
the dynamics of the evaporator drastically changes exhibiting both structural
transformations and state jumps. Hence, an evaporation system should
be modelled and analysed in the framework of hybrid control systems.
The proposed topic deals with the problem of start-up of a multi-stage
evaporator. Obviously, this problem is rather complicated because of the
system complexity. Thus, the design procedure will include not only controltheoretical,
but also numerical analysis of the system under consideration1.
Moreover, understanding of a physical nature of the underlying processes is
extremely helpful.

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共 3 个关于本帖的回复 最后回复于 2014-9-18 17:03

沙发
周志恒 新来的 发表于 2014-9-18 16:52:14 | 只看该作者
研发埠培训中心
这里还有

Modeling and optimization of a high-pressure ethylene polymerization reactor using gPROMS
基于gPROMS的分子蒸馏过程研究
动态优化研究及其工业应用
Multi-scale flowsheet simulation of an integrated continuous purification–downstream pharmaceutical manufacturing process
内外双降膜熔融结晶过程数值模拟
基于gPROMS的流程动态模拟
Polymer Flocculation of Calcite Population Balance Model
modeling and calibration of perparative chromatography in gPROMS separtions of protein monomers from dimers

基于gPROMS的流程动态模拟.pdf

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流程模拟是对复杂工业过程进行透彻分析的关键手段,更是对系统进行最
优决策的前提。而在工业过程中,存在许多不稳定的变化过程,只有通过动态
模拟才能更好地掌握这些过程的本质,因此对流程进行动态模拟研究意义重大。
面向方程的动态建模将时间变量引入到模型系统,即系统内部的性质随着时间
而变。动态模型将过程模拟、控制理论、化工单元以及热力学模型有机地结合
起来,组成微分代数系统(Di跽rential越gebraic Equations,DAEs)。
本文将动态模拟软件gPI的MS作为建模工具和模拟环境,通过调用大规模
DAE求解算法,对多类流程进行动态模拟,并将结果与稳态模拟结果进行比较
和分析,讨论动、稳态关系。
本文的研究工作主要包括以下几个方面:
● 研究妒RoMs平台下进行动态模拟的各关键问题,主要通过实例说明此环
境下对物质的热力学物性调用计算的方法;分析对不同形式模型的各种求
解算法;总结动态模拟过程的各影响因素。
● 将乙烯分离流程中两个重要精馏单元脱丙烷塔和脱丁烷塔作为研究对象,
对联塔的大规模系统进行动态模型搭建,在启动和工作点变换等多个动态
变化过程进行模拟,并将动态模拟最终达到稳定的结果与Aspen Plus稳态
模拟结果比较。
● 提出动、稳态关系相关的4类不同问题描述,从模型的形式以及求解方法
出发,深入研究动、稳态的关系。主要以几个不同类型的过程为实例,分
别根据这几类不同问题描述方式进行建模,将模型及模拟结果作比较并总
结。

Polymer Flocculation of Calcite Population Balance Model.pdf

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方解石的聚合物絮凝:群体平衡模型

A population balance (PB) model is used to describe the aggregation/breakage kinetics
of calcite flocculation in turbulent pipe flow. The model describes simultaneous aggregation
and breakage, and accounts for likely process variables: fluid shear, flocculant
dosage, primary particle size and solid fraction, using four fitted parameters. Particle
collision is described by the turbulent collision kernel of Saffman and Turner,1 however,
the capture efficiency ( ) is initially set to equal zero until the point of flocculant addition,
then increases rapidly as described by an equation accounting for flocculant mixing/
adsorption. Particles aggregated by high-molecular weight polymer flocculant typically
do not achieve a steady-state aggregate size, where the rates of aggregation and breakage
are equal. Instead, the aggregate size decreases gradually due to polymer chain scission
or rearrangement on repeated aggregation/breakage. This phenomenon is accounted for
in the model by a flocculant strength degradation term. © 2006 American Institute of
Chemical Engineers AIChE J, 52: 1641-1653, 2006

modeling and calibration of perparative chromatography in gPROMS separtions of protein monomers from dimers.pdf

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基于gPROMS制备色谱法的二聚体蛋白单体分离的建模和标定

A successful setup for calibration of a model for separation of bovine serum albumin monomer and its dimers is
described. The model is calibrated using 3 different data sets and thereafter validated against two different
experimental data sets. The objective function for the calibrations was based on a maximum likelihood approach,
with a least square method for the first calibration and a constant variance method for the other calibration. When
using gPROMS for fine calibration the results will be very good and the model will be able to predict other
experiment within the same pH with high accuracy. It has been proven that some parameters are insensitive to the
calibration of the data sets.

Multi-scale flowsheet simulation of an integrated continuous purification–downstream pharmaceutical manufacturing process.pdf

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生物医药制药过程的多尺度连续集成流程模拟

Properties of active pharmaceutical ingredients influence the critical quality attributes (CQAs) of final
solid dosage forms (e.g. tablets). In the last decade, continuous manufacturing has been shown to be
a promising alternative to batch processing in the pharmaceutical industry. Therefore, a quantitative
model-based analysis of the influence of upstream API properties on downstream processing quality
metrics will lead to enhanced QbD in pharmaceutical drug product manufacturing (Benyahia et al., 2012).
In this study, a dynamic flowsheet simulation of an integrated API purification step (crystallization), followed
by filtration and drying, with a downstream process (powder mixing) is presented. Results show
that the temperature profile of a cooling crystallization process influences the crystal size distribution
which in turn impacts the RSD and API concentration of the powder mixing process, which in turn has
a direct effect on tablet properties (Boukouvala et al., 2012). A hybrid PBM–DEM model is also presented
to demonstrate the coupling of particle-scale information with process-scale information leading
to enhanced elucidation of the dynamics of the overall flowsheet simulation.

内外双降膜熔融结晶过程数值模拟.pdf

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结晶是高效的分离提纯技术。降膜结晶.精馏联合操作工艺将降膜结晶和精馏
这两种分离方法联合在一起,能够实现过程强化,适合于分离沸点接近而熔点差
大的同分异构体以及高凝固点热敏物系。
本文从基本的传递方程出发,考虑动态降膜流动、传质、传热以及结晶相变
的相互耦合,建立了一套描述在圆形直管上降膜结晶过程的完整的通用数学模
型。为实现模型的精确求解,将冷却介质、管壁、结晶层和料液层作为不同的区
域分别建模独立计算,给出了完整的冷却液膜、管壁、结晶层和料液层之间界面
的初值及边界条件。
以萘和硫茚为研究对象,利用过程模拟软件gPROMS计算平台对建立的模
型进行了数值模拟研究,考察了料液的进口过热度、冷却水的进口过冷度、结晶
管壁厚度、结晶管直径等因素对结晶过程产生的影响,分析了该过程适宜的操作
条件。应用本通用数学模型,可以进行不同操作条件下及不同物系的模拟计算,
为结晶器设计及优化操作提供依据。
在gPROMS平台上建立了连续精馏塔的稳态通用数学模型,并以萘和硫茚
为研究对象,进行了模拟计算,并通过优化精馏塔的操作参数得到了适宜的操作
参数。通过对降膜结晶与精馏过程的特性分析,确定了降膜结晶与精馏过程的联
合操作条件,实现了整体分离流程的高效操作,最大限度地提高了目标产品的收
率。
研究结果表明,本文建立的降膜结晶过程的通用数学模型取得了显著的进
步,所开发的求解方法对解决类似问题有一定的借鉴作用。研究结果可以为工业
实际操作提供有力的指导。

动态优化研究及其工业应用.pdf

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随着工业生产过程要求不断地提高,面对非线性、高维和不确定等复杂动态
特性问题,静态优化方法已经无法实现其应用。因此,动态优化方法的研究成为
了化工过程设计、操作和控制的重要课题。本文在对动态优化算法及其研究现状
进行综述的基础上,进行了基于一些优化算法的优化设计和改进的研究,并与伦
敦大学动态优化博士论文结果,国际文献报道结果以及基于眇ROMS的优化结果
进行了详细的对比研究,主要包括如下几个方面:
(1)在掌握控制变量参数化方法的基础上,引入了双层规划的思想改进该算
法,将原来的优化问题转化为两个部分,提高了求解的效率。典型算例的研究结
果表明,相比较于传统控制变量参数化方法,在获得的控制性能指标最优的同时,
计算效率有了很大的提高。
(2)正交配置法一直是动态优化领域的研究热点。本文对正交配置算法原理
以及特点进行了研究,同时将其应用到化工过程,通过实际例子对算法进行了验
证。另外,改变正交配置法控制变量配置方式,减少了动态优化的变量。因而在
计算效率上优于传统方法。通过仿真结果进行了验证,结果表明了修正算法的良
好性能。
(3)针对复杂非线性化工过程的全局最优化问题,本文研究了迭代动态规划
方法,掌握了算法的原理和特性。同时针对该算法计算效率低的缺点,提出了一
种基于自适应优化方法的迭代动态规划算法。该算法通过自适应调整迭代过程,
提高迭代效率,并典型的化工过程动态优化问题为算例,进行了详细的比较研究,
结果表明了该算法的良好性能。

基于gPROMS的分子蒸馏过程研究.pdf

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分子蒸馏技术可以解决大量常规蒸馏技术不能解决的问题,尤其是对于高沸
点、热敏性及易氧化物料的分离具有突出的优势,能够很好地保护热敏性物质的
品质。目前分子蒸馏技术已经广泛应用于各个行业产品的分离。
分子蒸馏操作过程中,液膜表面的温度和浓度等参数实验测量困难,直接采
用液膜主体温度或是蒸馏器壁面温度计算蒸发速率等指标误差较大,因此,这些
关键参数主要靠模拟计算间接获得。分子蒸馏过程模型研究涉及到流体的流动、
传热和传质等问题,描述这些问题的微分方程常常是一系列复杂的非线性偏微分
方程,除了某些简单的情形以外,很难获得这些偏微分方程的解析解。
gPROMS采用联立方程法,为复杂化工系统的模型化提供成熟先进的建模
环境,可以较好地对动态模型和分布参数模型进行求解,为分子蒸馏过程的研究
引入了新的研究手段。
甘油是一种重要的化工原料。生物柴油的生产过程中会副产大量含有脂肪酸
甲酯的甘油,采用适宜的工艺对甘油精制回收,既为国家节省了甘油资源,又能
够降低生物柴油的价格。
本文通过对刮膜式分子蒸馏过程进行分析,在头波和液膜假设基础上,建立
了刮膜式分子蒸馏过程数学模型。采用软件gPROMS对分子蒸馏分离甘油一油
酸甲酯模拟物系过程进行求解,得到了较适宜的分子蒸馏操作条件:蒸馏器壁面
温度为378K,刮板转速为300rpm和进料流量为0.099/s。
通过甘油一油酸甲酯模拟物系分子蒸馏实验对模型及求解结果进行了验证t
蒸馏器壁面温度、刮板转速和进料流量对蒸发速率、甘油收率和产品纯度等评价
指标的影响计算值与实验值的变化趋势基本一致,评价指标的计算值与实验值吻
合较好;表明刮膜分子蒸馏模型及其求解方法可靠。
本研究对进一步完善刮膜分子蒸馏模型和分子蒸馏器设计,促进分子蒸馏技
术在各个行业产品分离的应用有积极的意义。

Modeling and optimization of a high-pressure ethylene polymerization reactor using gPROMS.pdf

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基于gPROMS的高压乙烯聚合反应堆的建模和优化

A gPROMS implementation of a comprehensive steady-state model of the high-pressure polymerization of ethylene in a tubular reactor is
presented. Model outputs along the reactor length include the complete molecular weight distribution and branching indexes, as well as monomer
conversion, average molecular weights, reactants’ compositions, and reactor temperature and pressure. A detailed calculation of physical and
transport properties, such as the reaction mixture density, heat-transfer capacity, viscosity and global heat-transfer coefficient is also included.
The reactor model is included in an optimization framework that is used to determine the best operating conditions for producing a polymer with
tailor-made molecular structure in terms of the complete molecular weight distribution, branching and polydispersity.
© 2007 Elsevier Ltd. All rights reserved.

板凳
周志恒 新来的 发表于 2014-9-18 17:01:04 | 只看该作者
研发埠人才中心
还有一些

乙炔加氢反应器二维非均相机理动态建模及分析
两段提升管催化裂化装置动态模拟与稳定性分析
Multi-scale flowsheet simulation of an integrated continuous purification–downstream pharmaceutical manufacturing process
基于gPROMS的间歇式过程的动态优化
工业过程动态优化研究
Dynamic simulation and optimisation of tubular polymerisation reactors in gPROMS
Reactive transport simulation in the eld of radio-active waste
Experiments and Modeling of Ion Exchange Resins for Nuclear Power Plants

Experiments and Modeling of Ion Exchange Resins for Nuclear Power Plants.pdf

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核电站中离子交换树脂的实验和建模

Resins are used in nuclear power plants for water
ultrapurification. Two approaches are considered in this work:
column experiments and simulations. A software called OPTIPUR
was developed, tested and used. The approach simulates the onedimensional
reactive transport in porous medium with convectivedispersive
transport between particles and diffusive transport within
the boundary layer around the particles. The transfer limitation in the
boundary layer is characterized by the mass transfer coefficient
(MTC). The influences on MTC were measured experimentally. The
variation of the inlet concentration does not influence the MTC; on
the contrary of the Darcy velocity which influences. This is consistent
with results obtained using the correlation of Dwivedi&Upadhyay.
With the MTC, knowing the number of exchange site and the relative
affinity, OPTIPUR can simulate the column outlet concentration
versus time. Then, the duration of use of resins can be predicted in
conditions of a binary exchange.

Dynamic simulation and optimisation of tubular polymerisation reactors in gPROMS.pdf

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基于gPROMS的管式聚合反应堆的动态仿真和优化

In this paper a dynamic model of the high-pressure polymerisation of ethylene in tubular reactors is introduced and a dynamic
optimisation problem is formulated for studying start-up strategies. The optimisation objectives proposed are to maximise outlet
conversion and optimise the time necessary for it’s stabilisation while keeping product molecular properties between commercial
ranges. Results are shown giving the time responses for temperature, number-average molecular weight and conversion along the
reactor axial distance, which were obtained using different control variable profiles. Improving in reactor productivity is achieved.
The interface gOPT of the gPROMS simulator was used to resolve the optimisation problem and to perform the simulations.
© 2001 Elsevier Science Ltd. All rights reserved.

Reactive transport simulation in the eld of radio-active waste.pdf

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放射性废物的无功传输模拟

工业过程动态优化研究.pdf

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工业过程,从严格意义上来讲,是一个动态的过程。就是说,描述过程的状
态变量(诸如物料浓度、温度、压力、流量、液位等)随时间的演进、空间的转
移而发生改变。动态过程由微分方程或差分方程描述,称为动态模型,其中微分
方程用来描述系统的动态特性,如质量和能量的守恒关系等等,而代数方程用来
确保系统的物理和热力学平衡关系等等。
在过去的十年里,随着过程性能指标以及规格限制越来越严格,运营公司面
临越来越强大的市场竞争,过程工业的动态仿真也得到越来越广泛的应用。此外,
随着AsPEN custom Modder和觯tOMS等强大动态仿真商业软件的开发,动
态仿真伴随着稳态部分一同被引入工业生产中。在动态仿真中,动态优化占有重
要的地位,国内外对于动态仿真领域有不少的研究,然而,直接应用于动态优化
仍然受限制。
动态优化算法是实现动态优化的关键因素之~,本文就工业过程的动态优化
算法进行了分析和研究。主要内容及贡献如下:
1. 对动态优化的基本概念及其在工业过程中的重要作用,动态优化算法
及其当前的发展和应用情况进行了综述性研究,分析了这些算法各自
的优缺点。
2. 实现了传统的控制变量参数化方法,并对典型的工业实例进行了研究,
通过分析相关的结果,得到了传统的控制变量参数化方法的缺陷。基
于这一缺陷分析,进一步提出了改进的控制变量参数化方法,在保证
算法精度的前提下,可以减少运算时间和迭代次数,实例研究表明了
所提出的改进的控制变量参数化方法的有效性。
3. 基于对控制变量参数化方法的分析,提出了将变分法和两点梯度法相
结合的两点梯度动态优化算法,并进行了实例验证。为了改进两点梯
度法精度和求解效率,进一步提出自适应变步长鼹点梯度算法。实例
研究表明了所提出的自适应变步长方法在求解效率和结果精度上都有
明显提高。
4 针对于边值固定的问题,在分析罚函数的缺陷的基础上,深入研究了
目标优先的动态优化算法,实例研究表明了该算法的有效性。

基于gPROMS的间歇式过程的动态优化.pdf

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分析了gPROMS(general Process Modelling System)软件的数值计算性能,并且以一类间歇式化学反应过程为例,基于作
者提出的该反应过程的动态数学模型利用gPROMS软件对该反应过程进行了动态优化研究,检验了gPROMS的动态优化能力。

Multi-scale flowsheet simulation of an integrated continuous purification–downstream pharmaceutical manufacturing process.pdf

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生物医药制药过程的多尺度连续集成流程模拟

Properties of active pharmaceutical ingredients influence the critical quality attributes (CQAs) of final
solid dosage forms (e.g. tablets). In the last decade, continuous manufacturing has been shown to be
a promising alternative to batch processing in the pharmaceutical industry. Therefore, a quantitative
model-based analysis of the influence of upstream API properties on downstream processing quality
metrics will lead to enhanced QbD in pharmaceutical drug product manufacturing (Benyahia et al., 2012).
In this study, a dynamic flowsheet simulation of an integrated API purification step (crystallization), followed
by filtration and drying, with a downstream process (powder mixing) is presented. Results show
that the temperature profile of a cooling crystallization process influences the crystal size distribution
which in turn impacts the RSD and API concentration of the powder mixing process, which in turn has
a direct effect on tablet properties (Boukouvala et al., 2012). A hybrid PBM–DEM model is also presented
to demonstrate the coupling of particle-scale information with process-scale information leading
to enhanced elucidation of the dynamics of the overall flowsheet simulation.

乙炔加氢反应器二维非均相机理动态建模及分析.pdf

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乙炔加氢反应器具有非线性、慢时变的特点,当前用于预测控制的模型过于简化,使得对反应器长期运
行的控制效果难以达到最佳,因此有必要建立精确的模型作为乙炔加氢反应器的实验室虚拟装置,研究更加有
效的控制方法。通过机理分析的方法建立了乙炔加氢反应器严格的二维非均相动态数学模型,并且考虑了催化
剂失活的问题。基于动态流程模拟软件gPROMS分析了重要模型参数对反应器稳态模拟的影响,为不同的装置
选择参数提供了依据,并且针对本文模拟的实际对象提供了一组数据。模拟分析了催化剂失活对于系统长期运
行的影响。对所建立的动态数学模型进行了动态模拟,结果基本反映了实际生产情况。将动态机理模型线性化,
得到动态机理模型在不同操作点上的线性状态空间模型特征值,以此进行稳定性分析。动态模拟和稳定性分析
的结果表明,在反应温度控制开环的条件下,所研究的反应器在大范围的操作点是稳定的。

两段提升管催化裂化装置动态模拟与稳定性分析.pdf

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通过机理分析的方法建立了两段提升管催化裂化装置提升管反应-再生系统的动态数学模型,采用动态流程模拟软件gPROMS对所建立的模型进行了动态模拟。将动态机理模型线性化,得到该模型在不同操作点上的线性状态空间模型特征值,以此进行稳定性分析。结果表明,在反正温度控制开环的条件下,所研究的两段提升管催化裂化装置提升管反应-再生系统在正常的操作点是不稳定的,必须对两段提升管的出口温度进行控制以保证正常操作点的稳定操作。

地板
周志恒 新来的 发表于 2014-9-18 17:03:07 | 只看该作者
最后一批

乙烯分离流程联塔系统的大规模联立动态模拟
油田联合站加热炉建模及仿真
流程模拟软件综述
尿素颗粒化单元动态模拟及优化
铝生产——mulitscale model for conceptual design
邻二甲苯氧化生产苯酐过程的模拟与优化
化工生产过程设计的建模界面
间歇精馏塔启动过程的流程模拟及混杂性分析
活塞驱动变压吸附反应器的模型化
间歇精馏冷启动过程的流程模拟

间歇精馏冷启动过程的流程模拟.pdf

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间歇精馏生产过程中,冷启动操作是极其重要的环节。不仅因为有大量的设
备需要开始投入使用,而且在工业现场的每个生产批次中,料液组成,加热方式,
塔顶回流的操作方式都有可能发生变化。然而在没有动态模拟的情况下,启动过
程主要根据经验进行操作,不可能、也不允许直接在装置上做任何试验。
应用动态模拟技术,探讨、分析间歇精馏启动过程的特性,其主要作用有:
1) 缩短启动时闻,使设备尽快达到稳定操作状态;
2) 降低物耗、能耗,减少启动损耗;
3) 避免可能产生的误操作或事故;
4) 减少不合格产品:
5) 保证启动过程顺利进行,取得最佳经济效益;
动态模拟的核心是系统模型。以往间歇精馏塔的动态模型大部分建立在平衡
模型的基础
为一个难题
它采用了大规模的微分代数方程组,所以使系统的初始化成
本文从过程特性分析、建模、求解和实验验证四个方面,对间歇精馏硷皇麴
过程的动态模型进行了描述,具体包括以下几个部分:
1.分析间歇精馏塔从冷、空状态启动时的过程特性。针对塔板的动态特性
以及塔板间的变化关系,将启动过程描述为三种状态之间的切换,即:冷空状态
(EM)、液体积累状态(LA)、汽液平衡状态(VLE)。塔板温度和塔板积液作
为沿空间轴(底层塔板到上层塔板)和时间轴不断发生变化的动态变量,它们共
同决定了塔板上汽液平衡状态的建立。随过实验观察和现象分析,得到两个重要

结论:
a.汽液平衡状态的建立是从下到上逐板发生的,这集中体现在塔板温度
的变化曲线上。
、/
b.塔板积液的主要增长是由回流决定的。/’
2.采用具有时间一致性的动态模型描述间歇精馏塔的启动过程。以分离过程的重要设备一塔板为例,每层塔板都是从非平衡状态,即只有能量和物质交换,转化到平衡状态,即到达汽一液平衡。f而转换点是由工作压力下的泡点温度决定
L
的。通过塔板的结构特性,利用不同的溢流堰高度描述了塔板积液的变化情况。
在传统MESH方程的基础上,结合启动过程特性和塔板动力学方程,能够很好
地描述塔板在EM—LA—VLE切换过程中的变化情况。采用模块化方法进行系
、/
统建模,使模型结构清晰,易于拓展。J.-4
3.分析模型中的混杂性问题。文章对求解过程中呈现的非连续特性进行了
分类,{。即:与启动过程状态转换有关的模型结构的不连续性,与物理过程有关的
塔板动力学方程的切换,给出了针对不同类型非线性特征的解决方案/对于动态
模型所涉及的变量初始值问题,以及状态切换过程中变量取值的变化,文章先对
变量进行了分类,然后给出了不同类型变量的初值选取方法。∞了更多地关注于
过程,而不是模型的复杂性和求解的难度,选用gPROMS作为计算平台用于求
解该过程。p
j
f
4.通过仿真实例验证了动态模型仿真结果的有效性和正确性。(第一个仿真
实例是一个非常著名的三组分间歇分离过程,针对如何确定优化起始点这个问
题,通过比较实验数据和简化方法求解结果,说明了模型的有效性和可操作性。
笫=个仿真实例是一个具体的实验装置,针对间歇精馏塔启动过程中的动态特
性,通过实验过程数据和仿真结果的比较,验证了模型的正确性。仿真结果同时
表明:间歇精馏塔从冷、空状态启动时过程动态的复杂性,和动态模型中的高度
菲连续性特征。
(最后对论文结果的工业应用前景给出了作者个人的看法,总结了论文工作的创新之处,以及讨论了本课题需进一步研究的问题。

活塞驱动变压吸附反应器的模型化.pdf

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建立了活塞驱动的快速变压吸附反应器模型,根据气缸与床层相通时压力、浓度和流率的连续性要
求,提出了模型的边界条件。以2AC=>B+C为反应体系,其中C为易吸附组分,A、B为不吸附组分,利用动
态模拟软件gPROMS模拟考察了反应器长度、周期长度、活塞运动速率、产品收集速率和基础压力对反应性能
和分离性能的影响。

邻二甲苯氧化生产苯酐过程的模拟与优化.pdf

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邻二甲苯氧化生产苯酐过程的二维拟均相动力学模型,利用gPROMS进行模型求解,结果与实验数据吻合较
好。通过热点温度控制范围确定了反应器进料温度、换热介质熔盐温度的控制范围。以邻二甲苯转化率最大为目标函数,以
反应器进料温度、熔盐温度为控制变量,利用gPROMS优化反应过程,得到优化条件下的邻二甲苯转化率可达98.4%。

化工生产过程设计的建模界面.pdf

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为帮助用户处理新领域的建模问题 将案例数据库及其调用工具合并成一个知识库 开发了一个化工生产过
程的建模界面 此界面采用产品数据交换标准<STEP > 对模型数据的表达进行了标准化处理 采用基于案例的推
理方法在案例库中进行检索 使用案例比较索引对用户查询的信息进行定位~ 检索和分类 快速开发过程动态模
型 模型界面可自动生成模拟软件< 如gPROMS> 所需的代码 直接调用模拟软件进行动态模拟 用管式反应器和
HDA< 甲烷加氢脱烃> 反应的案例说明了该界面的具体功能。

间歇精馏塔启动过程的流程模拟及混杂性分析.pdf

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间歇精馏塔启动过程的流程模拟是通过一个动态混杂系统模型来描述的?通过分析模型中的混杂性问题H
对非连续性特性进行了分类A即与启动过程状态转换有关的模型结构的不连续性X与物理过程有关的塔板动力学
方程的切换?并针对动态模型所涉及的变量初始值问题H给出了不同类型变量的初值选取方法?最后通过基于
5RYTZ<计算平台的仿真结果和实验结果的比较H验证了模型求解的有效性。

铝生产——mulitscale model for conceptual design.pdf

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铝生产中碳热还原过程的多尺度模型的概念设计和仿真.

Multiscale modeling is a tool aimed at combining mathematical descriptions of different process scales
into a single, properly tailored scale integration hierarchy allowing for reliable modeling and simulation.
This concept has already been successfully applied in deriving accurate state variable distributions for
processes that exhibit full spatiotemporal variation and thus do not allow for the standard simplifications.
This paper discusses the fundamental considerations required for the development of a multiscale model
and presents the main implementation challenges for a conceptual high-temperature multiphase reactor.
The objective is to simultaneously solve the electric charge, heat, momentum, mass and molar balances
for the carbothermic reduction of alumina, a complex electrochemical process for aluminium production.
This multiscale model relies on a decomposition of the PDE (mass, heat and momentum) balances into
two levels: the first modeling level consists of a series of CSTR reactors resembling a conceptual reactor,
and the second modeling level uses a Computational Fluid Dynamics model for each of those sections.
The main contribution of our study is that it proposes a framework for solving complex process problems
of the metallurgical industry, where the spatially distributed state variables are of particular importance.

乙烯分离流程联塔系统的大规模联立动态模拟.pdf

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在乙烯生产流程中,以脱丙烷塔与脱丁烷塔的复杂联塔系统作为研究对象,根据机理建立双塔联立
的动态数学模型。该联塔数学模型是一个大规模的微分代数混合系统(DAFJ),包括了精馏塔、控制器、阀门、泵
等多种操作单元和设备。动态模拟实质即为求解这个大规模的DAE系统。文章以动态模拟软件gPROMS为建
模工具和模拟环境,通过调用大规模DAE求解算法,模拟联塔的动态探作过程,并与Aspen Plus稳态模拟结果进
行了比较和分析。

油田联合站加热炉建模及仿真.pdf

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油田联合站加热炉是具有强耦合、纯滞后、大惯性及慢时变等特点的非线性系统,控
制困难。本文通过机理分析的方法,建立了油田联合站水套式加热炉的动态数学模型,基于动
态流程模拟软件gPROMS建立加热炉的动态仿真平台,分析了重要模型参数对加热炉动态模拟
的影响。仿真结果表明该模型可以较为准确地描述实际加热炉的动态特性,以此为平台来研究
更加有效的控制方法,对提高加热炉的控制水平无疑具有重要意义。

流程模拟软件综述.pdf

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对于流程模拟软件进展的综述

This paper reviews some of the key developments in process modelling technology over the last decade.
These include the establishment of networks involving multiple groups of model developers and model
users, and the support that process modelling tools need to provide towards the reliable and efficient
operation of these process model supply chains; the trend towards open software architectures and the
emergence of standards for process modelling software; the emergence of hybrid process/CFD
modelling and the demands it places on process modelling tools; the significant advances in the area of
physical properties; and the impact of developments in computer hardware and architecture.
The paper attempts to perform a critical analysis of the successes and failures of the last decade, and to
identify the main challenges for the next.

尿素颗粒化单元动态模拟及优化.pdf

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尿素颗粒化单元动态模拟及优化

A dynamic flowsheet for a complete urea granulation circuit is presented in this work.
This flowsheet is based on previous validated models against industrial data for the
crusher and screen and on a new model for the granulation unit. All three units are
integrated under the gPROMS Molder Builder Environment, which allows having a
powerful tool for the simulation and optimization steps. A sensitivity analysis is
performed to evaluate the influence the different operating variables on the product and
recycle streams. Finally, an optimization is carried out to determine the values of the
manipulated variables that maximize production under specification.

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