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COCO Simulator
The COCO Simulator is a free-of-charge, non-commercial, graphical, modular and CAPE-OPEN compliant, steady-state, sequential simulation process modeling environment. It was originally intended as a test environment for CAPE-OPEN modeling tools but now provides free chemical process simulation for students. It is an open flowsheet modeling environment allowing anyone to add new unit operations or thermodynamics packages. The COCO Simulator uses a graphical representation, the Process Flow Diagram (PFD), for defining the process to be simulated. Clicking on a unit operation with the mouse allows the user to edit the unit operation parameters it defines via the CAPE-OPEN standard or to open the unit operation's own user interface, when available. This interoperability of process modeling software was enabled by the advent of the CAPE-OPEN standard. COCO thermodynamic library "TEA" and its chemical compound data bank are based on ChemSep {{cite book, author1=Perry, Robert H. , ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
CAPE-OPEN Interface Standard
The CAPE-OPEN Interface Standard consists of a series of specifications to expand the range of application of process simulation technologies. The CAPE-OPEN specifications define a set of software interfaces that allow plug and play inter-operability between a given Process Modelling Environment and a third-party Process Modelling Component. Origins The CAPE-OPEN, European Union funded, project was established in 1997. The project involved participants from a number of companies from the process industries (Bayer, BASF, BP, DuPont, French Institute of Petroleum (IFP), Elf Aquitaine, and Imperial Chemical Industries (ICI)) together with 15 partners including software vendors (Aspen Technology, Hyprotech Ltd, QuantiSci and SimSci]) and academics (Imperial College London, National Polytechnic Institute of Toulouse (INPT), and RWTH Aachen University). The objective of the project was to demonstrate the feasibility of a set of specification interfaces to allow plug and play interopera ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Ab Initio Quantum Chemistry Methods
''Ab initio'' quantum chemistry methods are computational chemistry methods based on quantum chemistry. The term was first used in quantum chemistry by Robert Parr and coworkers, including David Craig in a semiempirical study on the excited states of benzene. The background is described by Parr. ''Ab initio'' means "from first principles" or "from the beginning", implying that the only inputs into an ''ab initio'' calculation are physical constants. ''Ab initio'' quantum chemistry methods attempt to solve the electronic Schrödinger equation given the positions of the nuclei and the number of electrons in order to yield useful information such as electron densities, energies and other properties of the system. The ability to run these calculations has enabled theoretical chemists to solve a range of problems and their importance is highlighted by the awarding of the Nobel prize to John Pople and Walter Kohn. Accuracy and scaling ''Ab initio'' electronic structure method ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Dortmund Data Bank
The Dortmund Data Bank (short DDB) is a factual data bank for thermodynamic and thermophysical data. Its main usage is the data supply for process simulation where experimental data are the basis for the design, analysis, synthesis, and optimization of chemical processes. The DDB is used for fitting parameters for thermodynamic models like NRTL or UNIQUAC and for many different equations describing pure component properties, e.g., the Antoine equation for vapor pressures. The DDB is also used for the development and revision of predictive methods like UNIFAC and PSRK. Contents Mixture properties * Phase equilibria data ( vapor–liquid, liquid–liquid, solid–liquid), data on azeotropy and zeotropy * Mixing enthalpies * Gas solubilities * Activity coefficients at infinite dilution * Heat capacities and excess heat capacities * Volumes, densities, and excess volumes (volume effect of mixing) * Salt solubilities * Octanol-water partition coefficients * Critical ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Process Design (chemical Engineering)
In chemical engineering, process design is the choice and sequencing of units for desired physical and/or chemical transformation of materials. Process design is central to chemical engineering, and it can be considered to be the summit of that field, bringing together all of the field's components. Process design can be the design of new facilities or it can be the modification or expansion of existing facilities. The design starts at a conceptual level and ultimately ends in the form of fabrication and construction plans. Process design is distinct from equipment design, which is closer in spirit to the design of unit operations. Processes often include many unit operations. Documentation Process design documents serve to define the design and they ensure that the design components fit together. They are useful in communicating ideas and plans to other engineers involved with the design, to external regulatory agencies, to equipment vendors and to construction contractors ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Plug Flow
In fluid mechanics, plug flow is a simple model of the velocity profile of a fluid flowing in a pipe. In plug flow, the velocity of the fluid is assumed to be constant across any cross-section of the pipe perpendicular to the axis of the pipe. The plug flow model assumes there is no boundary layer adjacent to the inner wall of the pipe. The plug flow model has many practical applications. One example is in the design of chemical reactors. Essentially no back mixing is assumed with "plugs" of fluid passing through the reactor. This results in differential equations that need to be integrated to find the reactor conversion and outlet temperatures. Other simplifications used are perfect radial mixing and a homogeneous bed structure. An advantage of the plug flow model is that no part of the solution of the problem can be perpetuated "upstream". This allows one to calculate the exact solution to the differential equation knowing only the initial conditions. No further iterat ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Continuous Stirred-tank Reactor Model
The continuous stirred-tank reactor (CSTR), also known as vat- or backmix reactor, mixed flow reactor (MFR), or a continuous-''flow'' stirred-tank reactor (C''F''STR), is a common model for a chemical reactor in chemical engineering and environmental engineering. A CSTR often refers to a model used to estimate the key unit operation variables when using a continuous agitated-tank reactor to reach a specified output. The mathematical model works for all fluids: liquids, gases, and slurries. The behavior of a CSTR is often approximated or modeled by that of an ideal CSTR, which assumes perfect mixing. In a perfectly mixed reactor, reagent is instantaneously and uniformly mixed throughout the reactor upon entry. Consequently, the output composition is identical to composition of the material inside the reactor, which is a function of residence time and reaction rate. The CSTR is the ideal limit of complete mixing in reactor design, which is the complete opposite of a plug flow reactor ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Chemical Reaction
A chemical reaction is a process that leads to the chemical transformation of one set of chemical substances to another. Classically, chemical reactions encompass changes that only involve the positions of electrons in the forming and breaking of chemical bonds between atoms, with no change to the nuclei (no change to the elements present), and can often be described by a chemical equation. Nuclear chemistry is a sub-discipline of chemistry that involves the chemical reactions of unstable and radioactive elements where both electronic and nuclear changes can occur. The substance (or substances) initially involved in a chemical reaction are called reactants or reagents. Chemical reactions are usually characterized by a chemical change, and they yield one or more products, which usually have properties different from the reactants. Reactions often consist of a sequence of individual sub-steps, the so-called elementary reactions, and the information on the precise co ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Chemical Reactor
A chemical reactor is an enclosed volume in which a chemical reaction takes place. In chemical engineering, it is generally understood to be a process vessel used to carry out a chemical reaction, which is one of the classic unit operations in chemical process analysis. The design of a chemical reactor deals with multiple aspects of chemical engineering. Chemical engineers design reactors to maximize net present value for the given reaction. Designers ensure that the reaction proceeds with the highest efficiency towards the desired output product, producing the highest yield of product while requiring the least amount of money to purchase and operate. Normal operating expenses include energy input, energy removal, raw material costs, labor, etc. Energy changes can come in the form of heating or cooling, pumping to increase pressure, frictional pressure loss or agitation. Chemical reaction engineering is the branch of chemical engineering which deals with chemical reactors and thei ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Pumps
A pump is a device that moves fluids ( liquids or gases), or sometimes slurries, by mechanical action, typically converted from electrical energy into hydraulic energy. Pumps can be classified into three major groups according to the method they use to move the fluid: ''direct lift'', ''displacement'', and ''gravity'' pumps. Mechanical pumps serve in a wide range of applications such as pumping water from wells, aquarium filtering, pond filtering and aeration, in the car industry for water-cooling and fuel injection, in the energy industry for pumping oil and natural gas or for operating cooling towers and other components of heating, ventilation and air conditioning systems. In the medical industry, pumps are used for biochemical processes in developing and manufacturing medicine, and as artificial replacements for body parts, in particular the artificial heart and penile prosthesis. When a casing contains only one revolving impeller, it is called a single-stage ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Gas Compressor
A compressor is a mechanical device that increases the pressure of a gas by reducing its volume. An air compressor is a specific type of gas compressor. Compressors are similar to pumps: both increase the pressure on a fluid and both can transport the fluid through a pipe. The main distinction is that the focus of a compressor is to change the density or volume of the fluid, which is mostly only achievable on gases. Gases are compressible, while liquids are relatively incompressible, so compressors are rarely used for liquids. The main action of a pump is to pressurize and transport liquids. Many compressors can be staged, that is, the fluid is compressed several times in steps or stages, to increase discharge pressure. Often, the second stage is physically smaller than the primary stage, to accommodate the already compressed gas without reducing its pressure. Each stage further compresses the gas and increases its pressure and also temperature (if inter cooling between stag ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Heat Exchanger
A heat exchanger is a system used to transfer heat between a source and a working fluid. Heat exchangers are used in both cooling and heating processes. The fluids may be separated by a solid wall to prevent mixing or they may be in direct contact. They are widely used in space heating, refrigeration, air conditioning, power stations, chemical plants, petrochemical plants, petroleum refineries, natural-gas processing, and sewage treatment. The classic example of a heat exchanger is found in an internal combustion engine in which a circulating fluid known as engine coolant flows through radiator coils and air flows past the coils, which cools the coolant and heats the incoming air. Another example is the heat sink, which is a passive heat exchanger that transfers the heat generated by an electronic or a mechanical device to a fluid medium, often air or a liquid coolant. Flow arrangement Image:Heat_exc_1-1.svg, Fig. 1: Shell and tube heat exchanger, single pass (1–1 ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
