Chemical engineering computer applications

American Institute of Chemical Engineers AIChE Application Software Survey for Personal Computers, New York, 1984. 

Contributions that are relevant to our work can be identified in various research areas. The direct, fine-grained process support relates to approaches from the areas of computer-based process support and tool integration. For experience-based reuse, research results about traceability and reuse support infrastructures from the disciplines of software and chemical engineering are applicable. 

Seider, W. D., R. Gautam, C. W. White, 1980, Computation of Phase and Chemical Equilibrium. Computer Applications to Chemical Engineering, ACS Symposium Series 124, p. 115-13... 

Squires RG, Reklaitis GV (eds) (1980) Computer applications to chemical engineering. Computation of phase and chemical equilibrium a review. ACS symposium series. American Chemical Society, Washington, DC, pp 115-134... 

Numerical analysis is widely used in many chemical engineering computations. Due to the use of computers, cumbersome calculations can be done easily and a solution is reached in a shorter time. Applications include the following ... 

T. Umeda, T. Harada, and K. Shiroko, "A Thermodynamic Approach to the Synthesis of Heat Integration Systems in Chemical Processes," Proceedings of the 12th Symposium on Computer Applications in Chemical Engineering, Montreaux, Swit2edand, 1979, p. 487. 

Computational fluid dynamics (CFD) is the analysis of systems involving fluid flow, energy transfer, and associated phenomena such as combustion and chemical reactions by means of computer-based simulation. CFD codes numerically solve the mass-continuity equation over a specific domain set by the user. The technique is very powerful and covers a wide range of industrial applications. Examples in the field of chemical engineering are ... 

Kuipers, J.A.M. and van Swaaij, W.P.M., 1997. Application of computational fluid dynamics to chemical reaction engineering. Reviews in Chemical Engineering, 13, 1-110. 

Hypercubes and other new computer architectures (e.g., systems based on simulations of neural networks) represent exciting new tools for chemical engineers. A wide variety of applications central to the concerns of chemical engineers (e.g., fluid dynamics and heat flow) have already been converted to run on these architectures. The new computer designs promise to move the field of chemical engineering substantially away from its dependence on simplified models toward computer simulations and calculations that more closely represent the incredible complexity of the real world. 

Chemical engineering undergraduate eurricula have traditionally been designed to train students for employment in the conventional chemical processing industries. The eurrent core emrieulum is remarkably successful in this effort. Chemical engineers will continue to play a major role in the ehemical and petroleum industries, but new areas of application as well as new emphases on environmental protection process safety and advanced computation, design, and proeess control will require some modifications of the curriculiun. 

The solid-liquid two-phase flow is widely applied in modern industry, such as chemical-mechanical polish (CMP), chemical engineering, medical engineering, bioengineering, and so on [80,81]. Many research works have been made focusing on the heat transfer or transportation of particles in the micro scale [82-88], In many applications, e.g., in CMP process of computer chips and computer hard disk, the size of solid particles in the two-phase flow becomes down to tens of nanometres from the micrometer scale, and a study on two-phase flow containing nano-particles is a new area apart from the classic hydrodynamics and traditional two-phase flow research. In such an area, the forces between particles and liquid are in micro or even to nano-Newton scale, which is far away from that in the traditional solid-liquid two-phase flow. 

Azapagic, A. Clift, R. (1999) The Application of Life Cycle Assessment to Process Optimisation. Computers and Chemical Engineering, 23(10), 1509-1526. 

Typical examples such as the ones mentioned above, are used throughout this book and they cover most of the applications chemical engineers are faced with. In addition to the problem definition, the mathematical development and the numerical results, the implementation of each algorithm is presented in detail and computer listings of selected problems are given in the attached CD. 

Sargent, R.W.H. "A Review of Optimization Methods for Nonlinear Problems", in Computer Applications in Chemical Engineering, R.G. Squires and G.V. Reklaitis, Eds., ACS Symposium Series 124, 37-52, 1980. 

L. Constantine, K. Bagherpour, R. Gani, J.A. Klein D.T. Wu, 1996, Computer Aided product design Problem formulations, methodology and applications, Computers Chemical Engineering, 20 (6/7), 685-702. 

Zemaitis, J.F., "Counter Current Stage Separation with Chemical and Ionic Equilibrium and/or Reaction", to be published in Computer Applications to Checmical Engineering Process Design and Simulation, ACS Symposium Series,... 

Kurt Varmuza was bom in 1942 in Vienna, Austria. He studied chemistry at the Vienna University of Technology, Austria, where he wrote his doctoral thesis on mass spectrometry and his habilitation, which was devoted to the field of chemometrics. His research activities include applications of chemometric methods for spectra-structure relationships in mass spectrometry and infrared spectroscopy, for structure-property relationships, and in computer chemistry, archaeometry (especially with the Tyrolean Iceman), chemical engineering, botany, and cosmo chemistry (mission to a comet). Since 1992, he has been working as a professor at the Vienna University of Technology, currently at the Institute of Chemical Engineering. 

Sivasubramanian, M. S. and Boston, J. F., 1990, The heat and mass transfer rate-based approach for modelling multicomponent separation processes, in Computer Applications in Chemical Engineering, pp. 331-336. Elsevier, Amsterdam. 

Grossmann, I.E. and Santibanez, J. (1980) Application of mixed-integer linear programming in process synthesis. Computers el Chemical Engineering, 4, 205. 

New measures and procedures to manage operational risk with applications to the planning of gas commercialization in Asia. Computers el Chemical Engineering,... 

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