6 replies to this topic

[Maaz]

Hey!

I need some info regarding software used in Chemical Engineering/Industry. I need to know about their evolution (like how was the first code written and how did chemical engineers write programs and eventually develop software like ASPEN and MATLAB etc.) and I also need to know their classification (i.e. in how many ways you could classify them eg. simulators, some that do mathematical calculations etc.)

I'd be glad if someone could help me out like really soon, I need to submit my reports by the end of this month (march - 2010).

Thanks! :-)

[milenkom]

Hey!

I need some info regarding software used in Chemical Engineering/Industry. I need to know about their evolution (like how was the first code written and how did chemical engineers write programs and eventually develop software like ASPEN and MATLAB etc.) and I also need to know their classification (i.e. in how many ways you could classify them eg. simulators, some that do mathematical calculations etc.)

I'd be glad if someone could help me out like really soon, I need to submit my reports by the end of this month (march - 2010).

Thanks! :-)

I think it all started with Fortran. Alot of Industry problems could be solved with Fortran. So initially there was just programming language and alot of code writing. DECHEMA started measuring physical properties of components, which were bought off by process simulators industry who incorporated database to their simulators. The early version of aspen plus would still use fortran as programming language, with the development of computer science and programming languages simulators were made with graphical interface etc ...

[kkala]

I think it all started with Fortran. Alot of Industry problems could be solved with Fortran. So initially there was just programming language and alot of code writing. DECHEMA started measuring physical properties of components, which were bought off by process simulators industry who incorporated database to their simulators. The early version of aspen plus would still use fortran as programming language, with the development of computer science and programming languages simulators were made with graphical interface etc ...

I would agree with milenkom, when I graduated in 1972 there were a lot of Programs in USA, mainly about distillation. G. G Brown (Unit Operations, Wiley, 1950) does not seem to refer to digital computation, while "Digital computation for Chemical Engineers" by Lapidus came in 1962 to the market. So Chemical Engineering software must have started in 1950s. Fortran was the most popular language till probably 1985-1990, when PCs have been developped.
But history had some delay outside USA, I knew nothing about computers in 1972 (Greece) and start using PC seriously at work in 1996. Fortran was taught here until few years ago. Programmable calculators played an important role in complex computations, using their own programming language or basic. In 1978 I had seen heat and mass balance of a whole phosphoric acid plant done by a small computer (it was not a PC yet), so this was a kind of simulation.
So I suppose early computing history in Chemical Engineering involves (periods may not be precise).
1. Programming in big computers (1955-1985)
2. Programming in small computers (e.g. HP, Olivetti, etc) for the engineering of the company in proprietary language or known language (C, Pascal, etc) (1975-1985).
3. Making programs in Programmable calculators (e.g. compressible fluid flow, sugar plant balances, etc) (1975-1985).
4. PC software for calculations (1980-1994), requiring inputs before execution. This software was created by either the engineer/ his company), or by software companies (e.g. pipe network analysis in CPM or DOS).
5. PC software under windows (graphical user interface in general) making communication with user simpler.
It is noted that simulators started in stage 4, but were greatly developed in stage 5.
Other members may have a clearer idea on the subject.

Edited by kkala, 13 March 2010 - 11:12 AM.

[ankur2061]

Maaz,

In all the development of software for chemical engineering calculations or for that matter any engineering calculations the contribution of 'Microsoft Excel' as a calculation tool cannot be overlooked. MS Excel caught the fancy of the engineering world right from the early 90's & even today a majority of chemical engineering calculators are written in MS Excel. A brief history of this wonderful engineering tool is available at:

http://en.wikipedia....Microsoft_Excel

I personally owe a great deal to my modest engineering prowess to this wonderful tool developed by Microsoft.

You should include this in your report.

Regards,
Ankur.

[Nikhiln]

I completely second Ankur's thoughts. My personal understanding of Excel was that it was just a wonderful calculation tool. Recently, my work demanded me to develop a dynamic simulator using Excel (which we had to turn to, since even traditional dynamic simulators couldnt handle effectively what we were trying to simulate). It was then that I realised what a wonderful thing it is. Using macros, Excel can be programmed to work like a simulator, and that too dynamic. It is truly a tool that blurs the boundary between a calculator and simulator.

Regards,
Nikhil

[Andres Valencia Michaud]

You could check the webpages of the main products used in industry: HYSYS from ASPEN (previously hyprotech), HTFS+ a heat exchanger design/rating/simulation from ASPEN also came from another software house with codes from Honeywell if I remember well... HTRI has also a Xchanger Suit as HTFS, Chemcad and some others not too well known but used for specific purposes as INSTRUCALC for instruments (flow meters, valves etc), METSIM for the metallurgical engineers (whom have many things in common with chemical engineers), of course MATLAB is useful when you know how to use SIMULINK for process control as it's a very complete tool with a powerful GUI and with soooooo many functions you'll adore it. Yes, it seems it all began with FORTRAN (Formula translator)and as computers became smaller, software became more specific and useful. Many databases were written using IBM/MS DOS, later, those databases were written using PASCAL (a higher level computer language). Now, as many members recall using MS-Excel, the trend is for chemical engineers to know how to develop software using it's built-in VISUAL BASIC as it can be used in any spreadsheet to any purpose.
Actually, you should look out for something which is under development. It's called CAPE-OPEN. It's a way to inter communicate software. Now it's possible to communicate free software with paid software, Hysys with HTRI and so on... This allows the user to import/export to many softwares which some years ago weren't possible.

[Maaz]

@ all ... thanks a lot guys for the info ... Can I know who was the first chemical engineer/company to write a code? or so? and what are the possible future trends in this field? some books or journals that I can refer?