Computers & Chemical Engineering

Items from 1 to 20 out of 6,314 results

article

A local optimization method for the design of reactive distillation

Martti Pekkanen

Computers and Chemical Engineering > 1995 > 19 > Supplement 1 > 235-240

In reactive distillation the design has to specify the rate of reaction on each stage. This can be done either in one design phase using ''global optimization'' or stage by stage using ''local optimization'' on each stage. A design algorithm and a design program for such a ''local optimization'' approach for reactive distillation is presented. The optimization is based on directions in the concentration...

article

Design of reaction/separation networks using detailed models

E.M.B. Smith, C.C. Pantelides

Computers and Chemical Engineering > 1995 > 19 > Supplement 1 > 83-88

This paper considers the design of integrated processes for the conversion of a set of raw materials to a set of end products utilising a given set of reaction and separation unit operations. It advocates the use of detailed unit operation models to ensure the practical realisability and optimality of the derived designs. It also demonstrates that, provided the models fulfil a certain condition, the...

article

Generation and assessment of batch processes with ecological considerations

Andreas A. Linninger, Eleni Stephanopoulos, Shahin A. Ali, Chonghun Han, more

Computers and Chemical Engineering > 1995 > 19 > Supplement 1 > 7-13

The BatchDesign-Kit is a software system that is aimed to support the development and design of batch processes for the manufacturing of pharmaceuticals and specialty chemicals, by integrating economic and ecological considerations. One of its three subsystems, the Process_Assessor deploys techniques and methodologies which allow the rapid generation and evaluation of alternative batch processing...

article

Life cycle assessment and linear programming environmental optimisation of product system-

A. Azapagic, R. Clift

Computers and Chemical Engineering > 1995 > 19 > Supplement 1 > 229-234

Application of Linear Programming (LP) Modelling to Life Cycle Assessment (LCA) is a novel approach to analysing and managing the environmental performance of a complete product system. Not only can it solve the problem of allocation of environmental burdens in the Inventory stage of the LCA, but it also enables the environmental optimum of the system to be investigated. Once the environmental burdens...

article

Steady state process simulation on MIMD machines:Solving nonlinear equations

Jorge R. Paloschi

Computers and Chemical Engineering > 1995 > 19 > Supplement 1 > 721-728

The feasibility of using MIMD machines for steady state process simulation is shown, by a parallel implementation of an inexact Newton/Quasi-Newton algorithm. A restarted version of GMRES is used to obtain the Newton step with a suitable parallel preconditioner.The algorithm is tested on two problems, a simple model for a distillation column using Antoine coefficients for the physical properties and...

article

Effects of equipment failure uncertainty in batch production scheduling

Eduard Sanmartí, Antonio Espuña, Luis Puigjaner

Computers and Chemical Engineering > 1995 > 19 > Supplement 1 > 565-570

This paper deals with production scheduling of multipurpose batch plants in the presence of equipment failure uncertainty. Uncertainty analysis is incorporated at the production scheduling stage to improve the probability of performing the resulting schedule. This probability will depend on forecasts of equipment failure. The effects of equipment failure on the production schedule are minimised by...

article

Automatic Differentiation applications to computer aided process engineering

C. Mischler, X. Joulia, E. Hassold, A. Galligo, more

Computers and Chemical Engineering > 1995 > 19 > Supplement 1 > 779-784

The numerical methods used for solving many scientific computing problems, in particular, for computer aided process engineering, require the computation of derivatives of a function. Both the accuracy and the computational requirements of the derivatives are, usually, of critical importance to ensure the robustness and the efficiency of the numerical solution. The purpose of this paper is to report...

article

A general environment for steady state process simulation structure and main features.

M. Alliet Gaubert, P. Bourseau, M. Boudiba, G. Muratet

Computers and Chemical Engineering > 1995 > 19 > Supplement 1 > 259-264

The simulation of a chemical process is usually a long and complex task. This paper presents the current stage of development of a general environment for steady state process simulation. First, the progress of a simulation session is detailed and the difficulty of a complex process simulation is analysed. Then a study of the potential help is developed. Finally, the structure of the environment is...

article

Computer integrated management: An industrlal perspective on the future

Professor Roger S Benson

Computers and Chemical Engineering > 1995 > 19 > Supplement 1 > 543-551

The paper reviews the history of computer integrated management in the process industries; analyses the present situation and identifies four key drivers that will shape the future directions. By analysing the implications of these drivers on the industry, its organizations and the research agendas future conclusions are suggested.

article

An integrated computer aided system for integrated design and control of chemical processes

Jianping Gong, Glen Hytoft, Rafiqul Gani

Computers and Chemical Engineering > 1995 > 19 > Supplement 1 > 489-494

In this paper, an Integrated Computer Aided System (ICAS), which is particularly suitable for solving problems related to integrated design and control of chemical processes, is presented. ICAS features include a modelling feature (generation of problem specific models, such as linear model, reduced model, simple and/or complex non-linear model), a simulation feature (steady state and dynamic simulation,...

article

A standard interface for use of thermodynamics in process simulation

G. Fieg, W. Gutermuth, W. Kothe, H.H Mayer, more

Computers and Chemical Engineering > 1995 > 19 > Supplement 1 > 317-320

In response to their industrial needs six major German chemical companies have defined a common interface for the use of thermodynamics in different CAPE-applications. To prove the concept a prototype has been developed and applied to several industrial projects. This paper presents a plea for the introduction of an open CAPE environment. Such open standards have already been established in many other...

article

Multiple steady states in heterogeneous azeotropic distillation

Nikolaos Bekiaris, George A. Meski, Manfred Moraxi

Computers and Chemical Engineering > 1995 > 19 > Supplement 1 > 21-26

In this article we study multiple steady states in ternary heterogeneous azeotropic distillation. We show that in the case of infinite reflux and an infinite number of trays one can construct bifurcation diagrams on physical grounds with the distillate flow as the bifurcation parameter. Multiple steady states exist when the distillate flow varies non-monotonically along the continuation path of the...

article

Development of an advanced modelling environment

P.Z. Maguire, D.M. Scott, W.R. Paterson, A. Struthers

Computers and Chemical Engineering > 1995 > 19 > Supplement 1 > 265-270

An industrial perspective on modelling software is presented that highlights the key requirements of process system engineers. This includes a description of the actual modelling activity itself and emphasises the complex inter-relationships and knowledge involved. An advanced modelling environment is described which incorporates state representations of process entities, the mathematical relations...

article

Industrial realization of time-optimal strategies for product changeover operations of coupled distillation columns

Ch. Kruse, G. Fieg, G. Wozny, L. Jeromin

Computers and Chemical Engineering > 1995 > 19 > Supplement 1 > 603-608

In the present paper new time-optimal strategies for product changeover operations for distillation columns are presented. Extensive experimental and theoretical studies in the lab scale have been carried out to investigate and to test these strategies. On this basis these strategies have been tested on a multi-stage production plant. They show clearly a reduction of time needed in the order of up...

article

Numerical simulation of extraction columns using a drop population model

T. Kronberger, A. Ortner, W. Zulehner, H.J. Bart

Computers and Chemical Engineering > 1995 > 19 > Supplement 1 > 639-644

The drop population balance model describes the drop size distribution and the mass distribution of the solute in a liquid-liquid extraction column. It accounts for drop interactions (like breakage and coalescence) and the axial transport in the colunm, considering the phase inlets as point sources. Both integro-differential equations are discretized by utilizing Galerkin's method. This leads to a...

article

Synthesis of batch reaction/distillation processes using detailed dynamic models

M.S. Charalambides, N. Shah, C.C. Pantelides

Computers and Chemical Engineering > 1995 > 19 > Supplement 1 > 167-174

This paper considers the synthesis of processes comprising batch reaction and distillation tasks. Complex process features, such as material recycles and shared intermediates are taken into account. The problem is formulated as a multistage optimal control problem. A control vector parametrisation approach is utilised to reduce this infinite dimensional dynamic problem to a finite dimensional nonlinear...

article

Qualitative modelling of chemical processes - a weighted digraph (WDG) approach

R.F. Vianna, C. McGreavy

Computers and Chemical Engineering > 1995 > 19 > Supplement 1 > 375-380

A qualitative reasoning methodology for describing complex chemical process is proposed. It focuses particularly on distributed parameters systems (DPS). This requires a considerable development beyond the techniques currently available for lumped parameters systems. The methodology extends the signed digraph approach due to Iri et al (1979) by incorporating functional weighting derived from estimates...

article

Modified Integral Procedure (MIP) as a reliable short-cut method in mechanistic based ODE kinetic model estimation : Non-isothermal and (semi-)batch process cases

Gheorghe Maria, David W.T. Rippin

Computers and Chemical Engineering > 1995 > 19 > Supplement 1 > 709-714

In both small and large-scale investigations, a reliable short-cut procedure to estimate the approximate parameters is very useful for the successive rapid checking of different Kinetic Model (KM) structures for their adaptation to current process data. An improved quality of the initial parameter guess improves also the reliability and the convergence rate for a subsequent exact Nonlinear Least Squares...

article

The pointer federal distributed data management system for integrating process engineering

B.P. Das, D.W. Edwards, C.E. Journet, I.A. Newman

Computers and Chemical Engineering > 1995 > 19 > Supplement 1 > 321-326

Companies are losing competitiveness because inefficient data management is becoming a bottleneck to the timely completion of process engineering projects. We describe progress on a project with the aim of solving this problem by developing a new type of data management system. British Gas plc are providing real data and feed back about the utility of our prototype systems. We outline our view of...

article

Optimal design of continuous sterilisation networks

N.J. Samsatli, N. Shah

Computers and Chemical Engineering > 1995 > 19 > Supplement 1 > 95-100

The design of continuous sterilisation networks involves the selection of design variables, such as the sterilisation temperature, heat exchanger sizes, etc., to satisfy the prime objective of destroying sufficient micro-organisms in the fermentation medium. Secondary objectives include minimising nutrient degradation and minimising annual costs. Common design practices for continuous sterilisation...

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Keywords

OPTIMIZATION (334)
SIMULATION (149)
SCHEDULING (127)
PROCESS SYNTHESIS (108)
PROCESS CONTROL (102)
MODEL PREDICTIVE CONTROL (97)
UNCERTAINTY (95)
GLOBAL OPTIMIZATION (87)
PROCESS DESIGN (87)
DYNAMIC SIMULATION (77)
MODELING (77)
DYNAMIC OPTIMIZATION (76)
MINLP (75)
PARAMETER ESTIMATION (75)
OPTIMISATION (73)
DESIGN (70)
DISTILLATION (70)
MODELLING (68)
REACTIVE DISTILLATION (68)
GENETIC ALGORITHM (67)
MULTI-OBJECTIVE OPTIMIZATION (67)
NEURAL NETWORKS (62)
CFD (61)
MILP (61)
PROCESS OPTIMIZATION (54)
FAULT DIAGNOSIS (53)
OPTIMAL CONTROL (48)
COMPUTATIONAL FLUID DYNAMICS (47)
HEAT INTEGRATION (47)
PROCESS SIMULATION (46)
BATCH PROCESS (45)
CONTROL (44)
MATHEMATICAL MODELING (43)
PROCESS MONITORING (40)
BATCH PROCESSES (38)
FAULT DETECTION (38)
BATCH DISTILLATION (37)
PRODUCTION PLANNING (37)
SUPPLY CHAIN MANAGEMENT (37)
CRYSTALLIZATION (35)
DATA RECONCILIATION (35)
GENETIC ALGORITHMS (35)
MATHEMATICAL PROGRAMMING (35)
NONLINEAR PROGRAMMING (34)
PROCESS INTEGRATION (33)
NONLINEAR CONTROL (32)
PRINCIPAL COMPONENT ANALYSIS (32)
PROCESS INTENSIFICATION (32)
PLANNING (31)
POPULATION BALANCE (31)
REAL-TIME OPTIMIZATION (31)
SENSITIVITY ANALYSIS (31)
SYNTHESIS (31)
MIXED-INTEGER NONLINEAR PROGRAMMING (30)
MODEL REDUCTION (30)
STOCHASTIC PROGRAMMING (30)
SUPERSTRUCTURE (30)
SUPPLY CHAIN (30)
ARTIFICIAL NEURAL NETWORKS (29)
FLEXIBILITY (28)
MIXED INTEGER LINEAR PROGRAMMING (28)
MIXED-INTEGER PROGRAMMING (28)
PARALLEL COMPUTING (26)
RETROFIT (26)
MIXED-INTEGER LINEAR PROGRAMMING (25)
MODEL-BASED CONTROL (25)
ROBUST OPTIMIZATION (25)
ROBUSTNESS (25)
INTEGRATION (24)
PRODUCTION SCHEDULING (24)
RELIABILITY (24)
STABILITY (24)
MULTIOBJECTIVE OPTIMIZATION (23)
SIMULATED ANNEALING (23)
STOCHASTIC OPTIMIZATION (23)
DISTRIBUTED PARAMETER SYSTEMS (22)
MATHEMATICAL MODELLING (22)
ADAPTIVE CONTROL (21)
CONTROLLABILITY (21)
DISJUNCTIVE PROGRAMMING (21)
EXTRACTIVE DISTILLATION (21)
HEAT EXCHANGER NETWORKS (21)
NONLINEAR SYSTEMS (21)
PRODUCT DESIGN (21)
SUSTAINABILITY (21)
WASTEWATER TREATMENT (21)
DYNAMIC MODELING (20)
ENERGY INTEGRATION (20)
ENVIRONMENTAL IMPACT (20)
HEAT EXCHANGER NETWORK SYNTHESIS (20)
MIXED INTEGER PROGRAMMING (20)
NEURAL NETWORK (20)
ADSORPTION (19)
BIOFUELS (19)
CHEMICAL PROCESSES (19)
DISTILLATION COLUMN (19)
DYNAMIC MODELLING (19)
LINEAR PROGRAMMING (19)
MASS TRANSFER (19)
MIXING (19)
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INFONA - science communication portal

Computers & Chemical Engineering

A local optimization method for the design of reactive distillation

Design of reaction/separation networks using detailed models

Generation and assessment of batch processes with ecological considerations

Life cycle assessment and linear programming environmental optimisation of product system-

Steady state process simulation on MIMD machines:Solving nonlinear equations

Effects of equipment failure uncertainty in batch production scheduling

Automatic Differentiation applications to computer aided process engineering

A general environment for steady state process simulation structure and main features.

Computer integrated management: An industrlal perspective on the future

An integrated computer aided system for integrated design and control of chemical processes

A standard interface for use of thermodynamics in process simulation

Multiple steady states in heterogeneous azeotropic distillation

Development of an advanced modelling environment

Industrial realization of time-optimal strategies for product changeover operations of coupled distillation columns

Numerical simulation of extraction columns using a drop population model

Synthesis of batch reaction/distillation processes using detailed dynamic models

Qualitative modelling of chemical processes - a weighted digraph (WDG) approach

Modified Integral Procedure (MIP) as a reliable short-cut method in mechanistic based ODE kinetic model estimation : Non-isothermal and (semi-)batch process cases

The pointer federal distributed data management system for integrating process engineering

Optimal design of continuous sterilisation networks

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