Run steady-state simulations of continuous chemical processes with CC-STEADY STATE. This product features libraries of chemical components, thermodynamic methods, and unit operations, enabling you to simulate processes from lab scale to full scale.
ChemCAD is a valuable process simualtion tool for chemical engineers. Your senior design class will make extensive use of this software. We will use 1 week of class to familiarize ourselves with ChemCAD from a distillation perspective and use it to study multicomponent distillation.
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Two similar software packages with all the functionalities that process simulator should have are also the most widespread among chemical engineers. AspenTech has a wide portfolio of modeling tools, among them most important and most known are process simulation tools Aspen Hysys and Aspen Plus.
Aspen HYSYS (or simply HYSYS) is a chemical process simulator used to mathematically model chemical processes, from unit operations to full chemical plants and refineries. HYSYS is able to perform many of the core calculations of chemical engineering, including those concerned with mass balance, energy balance, vapor-liquid equilibrium, heat transfer, mass transfer, chemical kinetics, fractionation, and pressure drop. HYSYS is used extensively in industry and academia for steady-state and dynamic simulation, process design, performance modeling, and optimization.
Aspen Plus is a process modeling tool for conceptual design, optimization, and performance monitoring for the chemical, polymer, specialty chemical, metals and minerals, and coal power industries. It can also be used for mass and energy balances, physical chemistry, thermodynamics, chemical reaction engineering, unit operations, process design and process control.
Process simulation and modeling is the application of a range of software tools to analyze individual unit operations (or process stages) and their relationships within the overall process (Boyadjiev, 2010). Process simulation is defined as the utilization of computer software resources to develop mathematical models for the construction of an accurate, representative model of a process (a chemical process, in this case), in order to understand its actual behavior during regular plant operations (Diwekar, 2005). These tools can be used at all stages of process development, from conceptual design, through process operation and further optimization. A particular example of the aforementioned constitutes the multi-physics modeling and computational simulation of mass and momentum transfer phenomena in a process of osmotic evaporation by applying Comsol and Matlab software (Forero, Pulido & Cabrera, 2016).
CHEMCAD simulator has been used in recent years to model and simulate a wide range of processes, such as: the simulation of an olive pits fed rotary kiln pyrolysis plant installed in Southern Italy (Benanti, Freda, Lorefice, Braccio, & Sharma, 2011); the conceptual design of an acetaldehyde manufacturing plant (Eliasson, 2010); the simulation of the biodiesel production process by transesterification of vegetable oils (Chilev & Simeonov, 2014), the simulation of a gasification plant equipped with a fluidized bed gasifier (Moneti, Delfanti, Marucci, & Bedini, 2015); the use of stochastic optimization algorithms for the systematic process retrofit of complex chemical processes (Otte, Lorenz, & Repke, 2016); the simulation of the formaldehyde production process via Formox technology, and comparison between the obtained and the acquired results using SuperPro Designer process simulator (Johansen, Johnsen, & Christiansen, 2013); and the conceptual design of a small-scale plant to obtain several components from turpentine oil (Sarwar, 2012).
The production process starts when 10 000 kg/h of liquid ethyl-benzene stream is pre-heated from ambient temperature (25 C) to a temperature of about 136 C using a shell and tube heat exchanger. The pre-heated stream obtained is then mixed with a recycle stream containing mostly ethyl-benzene and water, and some traces of styrene and toluene, coming from the top of the Distillation Column No. 2 (Styrene Column) in a cylindrical, pressurized vessel (Streams Mixer), operating under isobaric conditions. The exit stream leaving the Stream Mixer is completely vaporized in another shell and tube heat exchanger, until it reaches a temperature of about 250 C. The vapors obtained are then sent to another pressurized vessel operating also under isobaric conditions (Steam Mixer), at which superheated steam is injected in order to increase the temperature of the vapor mixture to that of the reaction condition (600 C). The amount of superheated steam to consume in the Steam Mixer should be enough to obtain a gaseous stream with a final water/ethyl-benzene molar ratio of approximately 14:1, prior to being fed to the Conversion Reactor (WVU, 2010).
The hot gaseous mixture coming from the Catalytic Reactor, which presents a temperature near 600 C and a pressure of 3.5 bar, is pressurized to 6.0 bar using pressure regulating valves. Then, the mixture is cooled to 50 C via two shell and tube heat exchangers (Coolers), which use cooling water as the heat exchanging agent. A two-phase (vapor-liquid) stream with approximately 50ºC temperature is obtained at the exit of the second cooler, which is then sent to the Separation/Purification area.
Equations (1) (2) and (3) represent the main reactions that take place inside the Catalytic Reactor, which are the catalytic dehydrogenation of ethyl-benzene to obtain styrene and hydrogen (equation 1); benzene and toluene formation from ethyl-benzene (equation 2); and the reaction of ethyl-benzene with hydrogen to obtain toluene and methane (equation 3). The application of high temperatures during reaction step permits the catalytic dehydrogenation of ethyl-benzene to be the predominant reaction, with a selectivity of about 95% (Snyder & Subramaniam, 1994) while the rest of the reactions involved totalize about 4%. The most important reactions occurring inside the reactor, as well as its reaction kinetics, are shown below (Snyder & Subramaniam, 1994) (WVU, 2010).
According to the results shown in figure 3, the heat exchanger number 4 was the one that transferred the highest amount of heat (68.34% of the total). This is because this equipment presents the condensation of the components in the reacting gaseous mixture from 260 C to approximately 50 C. The heat exchanger number 3 had the highest value of the Logarithmic Mean Temperature Difference (LMTD), with 372.841 C, since this heat exchanger presents the highest temperature difference between the hot fluid inlet temperature (T1 = 611.2 ºC) and the cold fluid exit temperature (t2 = 45 ºC), which is 566.2 ºC (Cao, 2010).
Finally, the heat exchanger number 4 needed the highest flow of cooling water (4 008.8 kg/h) because that is the place where phase change (condensation) of the hot reacting mixture occurs from a temperature of 260 ºC to approximately 50 ºC (temperature difference of 210 ºC); this process releases great amounts of heat that must be compensated with an elevated flow of the cooling agent.
Chemcad is software specially dedicated to the chemical engineers for the process simulation. While it might be difficult for the beginners to understand the interface, once you get soaked in you can make a really good use of it. Chemcad comes up with numbers of features like equipment sizing, equipment design and process economics as well. Also it includes thermophysical calculations. With all those features, it definitely helps engineers from designing a equipment to designing the whole plant as well as performing other calculations too. One might say that other application are better than this, I would definitely argue with that for the fact that it is great value for money
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