Comprehensive List of Chemical Process Simulation Software

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1 Overview Currently, the main chemical process simulation software available in China includes PRO/II from the American company SimSci-Esscor, Aspen Plus and Hysys from AspenTech in the United States, gPROMS from the British company PSE, ChemCAD from Chemstations in the United States, Design II from WinSim Inc., and VMGSim from Virtual Materials Group in Canada. A brief introduction to these software options is summarized below for reference and learning purposes. 2 Comparison of CHEMCAD, PROII, and ASPEN: A brief summary of the following seven points: 1 It is generally believed that PROII is more accurate for use in the petroleum refining industry, as its database contains a large amount of empirical data ； ASPEN performs better in the chemical engineering field; compared to Aspen Plus, it has advantages that no other software can match, and it essentially encompasses all the advantages of the software mentioned above. Some people compare PROII to the empiricist school and ASPEN to the academic school. 2. Essential for learning Aspen Plus: 1 Principles of Chemical Engineering ； Unit operations in chemical processes 2: Thermodynamic approaches ； Explaining physical property calculation methods ； 3 Chemical Systems Engineering ； It explains how to model chemical engineering systems, analyze them, and solve problems. For a basic understanding, points 1 and 2 are sufficient; if one wants to go deeper, point 3 is also necessary. Additionally, it is important to have guidance from an experienced teacher. 3. HYSYS is mainly used in oil refining. Dynamic simulation is its advantage. SPEN is intelligent and used for process simulation in the chemical industry, for large or complex processes; it features a comprehensive database and an open architecture. It is now one entity with HYSYS. PRO/II can be used for equipment accounting with a short process, or for distillation accounting. ChemCAD is relatively inferior due to its limited physical property data, making it inconvenient to use; it can be downloaded from various websites, is not widely used by design firms, but does have a certain market share in universities. 4. I think Aspen Plus offers the most accurate calculations, and its database is also the most well-developed. However, I’m not very comfortable using it; since it takes many factors into account, it feels quite difficult to learn. The interface of ChemCad is very simple to use, and it is easy to work with. But the database isn’t that large; I’m using version 5.0, which contains property data for only 2,000 commonly used substances. PRO/II is in the middle in both aspects. 5. In terms of ease of convergence, chemcad > hysys > proii. 6. From the perspective of industrial practice, PRO/II, HYSYS, and ChemCAD are all engineering simulation software; among them, Aspen, PRO/II, and HYSYS are used by the vast majority of design institutes in China. It seems that Aspen has the widest range of applications; its modules for electrolytes, solids, combustion, etc., are unmatched by other software ； PRO/II is widely used in the petrochemical industry, where extensive experience has been accumulated ； HYSYS boasts extremely high precision and accuracy in the field of oil and gas engineering. 　　Qingdao University of Science and Technology (formerly Qingdao Institute of Chemical Technology) has developed an ECSS, but its quality can only be described as \"domestic-made\"; the university itself does not use it. 7. Version introduction: The useful versions of Aspen are 10.2 and 11.1. Version 10.2 has some minor issues when used on WinXP, but it can still be used through workarounds. Version 11.1 has a small issue that is easy to resolve. As for the other versions, they seem unable to be used properly at the moment. 　　 The useful versions of Pro/II are 5.6, 6.0, and 7.1. The first two versions are excellent; those who prefer the latest features might like 7.1, but this version may not install on systems running Windows XP or later. 　　 The useful versions of Hysys are 2.4, 3.0, and 3.2; among them, version 3.0 must be installed from a CD, while version 3.2 has some issues – it sometimes shuts down without any reason after being used for half an hour. 3 Introduction to Various Software 3.1 AspenOne AspenOne was introduced by the American company AspenTech at the end of 2004, and it features significant improvements in terms of EO (system of equations). Official website: http://www.AspenTech.com. The main products under this company are Hysys, HTFS, and Aspen Plus. 3.1.1 Hysys: Hysys was originally a product of the Canadian company Hyprotech, which was founded in 1976. It is one of the first multinational companies in the world to develop industrial simulation and modeling technologies for the oil and chemical industries. Its technology is widely applied in fields such as oil extraction, storage and transportation, natural gas processing, petrochemicals, fine chemicals, pharmaceuticals, and refining. It holds a dominant position in the field of petrochemical simulation and modeling technology worldwide. Hyprotech has over 17,000 users in more than 80 countries, and its number of registered users exceeds that of any other process simulation software company in the world. Currently, the world’s major petrochemical companies are all using Hyprotech’s products, including the top 15 oil and gas companies in the world, 14 of the top 15 oil refining companies, and 13 of the top 15 chemical companies. In 2002, the American company AspenTech acquired Hyprotech, and Hysys thus became a product of AspenTech. In 2004, the American company Honeywell purchased the rights to the Hysys software from AspenTech. Hysys2004 is part of AspenOne; it was the first version released after Aspen acquired Hysys. The Aspen One directory contains information on the development background of Aspen Hysys. Thanks to the rapid advancement of microcomputers and the introduction of Microsoft Windows software, the limitations imposed by DOS on microcomputer resources and single-tasking were overcome, making it possible to run dynamic simulation systems on microcomputers. Canadian company HYPROTECH lived up to expectations and, leveraging its strong technical capabilities, was the first in the world to develop a microcomputer-based dynamic simulation system called HYSYS 1.0. The promotion and application of the dynamic simulation system HYSYS will undoubtedly bring about a profound revolution in the fields of petrochemical design, production, and research, serving as a landmark moment in the petrochemical industry. Chemical engineering simulation software has evolved and improved mainly in two areas. One is the development of theories and techniques related to chemical engineering simulation, which expands the scope of application for such software. The other area is the advancement of the software itself and computer-assisted tools, with efforts being made to find better ways that enable engineers to more easily master and use this software, as well as to apply it more flexibly in research projects. In recent years, the former aspect has developed rapidly, while the latter has progressed slowly. Since the standards of companies in the first aspect are quite high, the second aspect becomes particularly important. By combining these two aspects and using next-generation programming tools to develop new generations of simulation software, it is certain to bring about a transformation in the field of chemical process simulation. Throughout the development of its software, Hyprotech has always adhered to one principle: \"to make the software easy and convenient to use, so that it is simple for engineers to learn and understand.\" One way to achieve this goal is to allow engineers to change variables at will during use. The software can be paused at any time during operation to observe changes in the data. This is what is known as “fully interactive software”; it is Hyprotech’s first-generation product, HYSIM. It was also the world’s first fully interactive chemical engineering simulation software. The company’s success stems from two factors: first, its continuously evolving technical capabilities; and second, its awareness of the potential new technologies brought about by advances in computer technology, along with its ability to respond quickly to such changes. From interactive simulation to interactive simulation technologies on microcomputers, the company has always led the world by providing innovative software. HYSYS is built on HYSIM, which has over a decade of application experience in the petrochemical industry around the world. HYSYS includes more and more complex property calculation packages and unit operations, and it features powerful initialization and fast iterative calculation tools to obtain results more quickly and accurately. At the same time, system optimization, reactive distillation, advanced variable calculation tables, controllers for control studies, and transfer function generators were added. Hyprotech, the company that develops and supplies Hysys, has international clients such as BP, Chevron, Dow, DuPont, Exxon Mobil, Fluor Daniel, Monsanto, Glaxo SmithKline, Rohm Hass, Bayer, Shell, PraxAir, UOP, and others. HYSYS is widely used in China, with the total number of domestic users exceeding 50. All oilfield design systems use this software for process design. Below is a list of some usernames from domestic oil fields: Daqing Oil Field Design Institute, Liaohe Oil Field Design Institute, North China Oil Field Design Institute, Dagang Oil Field Design Institute, Sichuan Oil Field Design Institute, Changqing Oil Field Design Institute, Qinghai Oil Field Design Institute, Zhongyuan Oil Field Design Institute, Jianghan Oil Field Design Institute, Karamay Oil Field Design Institute, Karamay Oil Field Research Institute, Dushanzi Refinery, Dushanzi Petrochemical Design Institute, Langfang Pipeline Survey and Design Institute, Production Research Center of China National Offshore Oil Corporation, Petroleum Engineering Company of China National Offshore Oil Corporation (Tanggu, Tianjin). South China Sea Branch of China National Offshore Oil Corporation, Shell China, Liaoyang Chemical Fiber Company, Liaoyang Petrochemical Design Institute, Daqing Petrochemical Design Institute, Yueyang Petrochemical Company, Jiujiang Petrochemical Company, Nanjing Petrochemical Company, Yangzi Petrochemical Company, Yangzi Petrochemical Design Institute, Fushun Petrochemical Design Institute, Fushun Petrochemical Company, Jinling Petrochemical Company, Maoming Petrochemical Design Institute, Zhenjiang Refining and Chemical Engineering Company, etc. Features of HYSYS 1: The most advanced integrated engineering environment. The use of next-generation goal-oriented programming tools has made integrated engineering simulation software a reality. In such an integrated system, processes and unit operations are inter**. A process is simply a collection of various unit operations with such objectives, and the unit operations are connected to each other through the material flow within the process. In engineering design, the same objective is used for both steady-state and dynamic operations, and the data for this objective is shared, eliminating the need for data transfer. Therefore, in such an advanced and user-friendly system, users can achieve the greatest benefits; complex manufacturing processes often need to be divided into several parts for simulation. This is mainly based on: ① Small-process analysis is convenient and fast ； ②To obtain more accurate results using different thermodynamic methods for various systems, the approach commonly adopted by previous software was to simulate small processes separately first, and then manually or via software transfer data from one process to another through files. The mandatory transmission of such data inevitably leads to contradictions in the data within the process, resulting in the need for the process to be recalculated. An integrated engineering environment is different; it allows people to divide processes into several sub-processes within a simulated environment, with these sub-processes being of varying sizes. What sets this integrated environment apart is that data between sub-processes and the main process is shared mutually, without the need for any data transfer. Different property calculation packages can also be used between them. Moving from one process to another is as easy as flipping through a book. 2 Powerful dynamic simulation capabilities. The method and process of dynamic simulation involve, after the steady-state simulation of the process has converged, first defining the dynamic data for the unit operations (such as the geometric dimensions of separators, liquid level heights, etc.), installing control instruments, and then proceeding to dynamic mode to start the dynamic simulation. During the dynamic simulation, various process variables such as temperature and pressure can be adjusted at any time (this is what multi-tasking in Windows does), allowing one to observe their impact on the product as well as the patterns of change. You can also stop at any time and return to static. Since dynamics and statics share the same object, transitioning between them is very easy. HYSYS provides control units for dynamic simulation, such as PID controllers, transfer function generators, digital control switches, and variable calculation tables. A PID controller can control any variable. ②The transfer function generator can produce process transfer functions of any type, such as first-order elements, second-order elements, differential, and integral elements. With them, any controlled object and disturbance source can be simulated. ③During dynamic operation, a CNC switch can control the on or off state of another variable by checking a certain operating condition, thereby enabling control over the entire device. ○4 Each variable calculation table stores 26 * 50, That is, 130 variables. This appears to be a control unit connected online to the actual device; it allows any variable in the process to be introduced and processed within this table (which can perform various mathematical functions and logical operations). The results of these operations are then sent back into the process and assigned to certain variables, thereby enabling the control of those variables. 3 DCS interfaces. HYSYS is connected to the DCS control system through a dynamic link library DLL. The DCS data from the unit can be imported into HYSYS, while the process parameters from HYSYS can also be sent back to the unit. Through this technology, it is possible to achieve: ① online optimization control; ② production guidance; ③ production training; ④ offline debugging of instrument design systems. 4 Process parameter optimizer. The software features a powerful optimizer that offers five algorithms for selection, enabling the solution of problems with unconstrained, constrained, equal constraint, and inequality constraints. Among them, sequential quadratic programming is a relatively advanced method that enables linear and nonlinear optimization of multiple variables. By using variable calculation tables, more complex economic modeling can be incorporated into the optimizer in order to determine the operating conditions that yield the greatest economic benefits. In addition to the features mentioned above, HYSYS also includes an event-driven property calculation package, a dry-plate startup function, built-in artificial intelligence, a data regression package, a property calculation package, a property prediction system, event-driven functionality, a narrow-point analysis tool, a scenario analysis tool, hydraulic calculations for various trays, calculations for arbitrary towers, and non-sequential simulation technology. Applications of Hysys: HYSYS software is a large-scale expert system developed by a world-renowned company specializing in oil and gas processing simulation software. The software is divided into two main parts: dynamic and steady-state. Its dynamic and steady-state properties are primarily used in the design of oilfield surface engineering projects as well as in the design, calculation, and analysis of petroleum and petrochemical refining projects. Its dynamic part can be used to control the operation of crude oil production and storage and transportation systems. For onshore oil field construction, this software can solve the following problems: (I) Applications in onshore oil field engineering • Design, evaluation, and optimization of various transportation processes • Stationary piping networks, long-distance pipelines, and pumping stations • Temperature drop during pipeline shutdown • Prediction of pigging operations and slug flow • Oil and gas separation • Separation of oil, gas, and water phases • Design calculations for oil and gas separators • Prediction of natural gas hydrates • Creation of phase diagrams for oil and gas and prediction of their inversion points • Crude oil dehydration • Design and optimization of crude oil stabilization units • Dehydration of natural gas (using glycol or molecular sieves), as well as design and optimization of desulfurization units • Design and optimization of units for recovering light hydrocarbons from natural gas • Selection and calculation of pumps and compressors (II) Applications in petroleum refining 1. Design and optimization of atmospheric and vacuum distillation systems ； 2. Design and optimization of the FCC main fractionator ； 3. Design and optimization of gas systems ； 4. Design and optimization of gasoline stabilization, naphtha separation and stripping, reactive distillation, shift and methanation reactors, acid-water separators, sulfur and HF alkylation, isobutane removal columns, etc ； 5. In terms of gas treatment: it can handle tasks such as amine desulfurization, multi-stage refrigeration, compressor units, deethanization towers and demethanization towers, expansion devices, gas dehydrogenation, hydrate formation/inhibition, multi-stage operations, refrigeration circuits, and turbine expander optimization. Functions of the HYSYS software • Compared to similar software, HYSYS features a very user-friendly interface that is easy to learn, and it boasts a high level of intelligence. • The state-of-the-art integrated engineering environment makes integrated engineering simulation software a reality by utilizing next-generation programming tools oriented toward specific goals. In such an integrated system, processes and unit operations are interrelated; a process is merely a collection of various unit operations that share a common goal, with the flow of materials within the process serving as the link between these unit operations. In engineering design, the same objective is used for steady-state and dynamic operations, and the data for this objective is shared without the need for data transfer. Therefore, users can reap the greatest benefits from this most advanced and user-friendly system. • Built-in artificial intelligence: An artificial intelligence system is incorporated into the system, playing a very important role in all processes. When the input data meets the system’s computational requirements, the artificial intelligence system drives the system to perform the calculations automatically. When there is an error in data entry, the system will tell you where the problem lies. • Data regression package: The data regression toolkit provides powerful regression tools. Using experimental data or standard data from databases, users of this tool can obtain the mathematical regression equations for enthalpy and the gas-liquid equilibrium constant K (the form of the equations can be specified by the user). Using regression formulas can increase the computation speed, and under certain conditions, it can also improve the calculation accuracy. • Rigorous property calculation package: HYSYS offers a powerful set of property calculation tools, whose underlying data is derived from world-renowned property data systems and has been thoroughly verified by our company. These data include 16,000 interaction parameters and over 1,800 pure substance data points. • Powerful property prediction system: For components not included in the HYSYS standard library, it is possible to define fictitious components and then use HYSYS’ property calculation package to automatically compute the basic data. • DCS interface: HYSYS connects to the DCS control system through its dynamic link library DLL. The DCS data of the unit can be imported into HYSYS, while the process parameters of HYSYS can also be sent back to the unit. With this technology, it is possible to achieve: 1) online optimal control ； 2) Production guidance ； 3) Production training ； 4) Offline debugging of the instrument design system. • Event-driven: Combining simulation technology with fully interactive operation methods is what has made HYSIM successful. By utilizing object-oriented techniques, the interactive approach of HYSYS is elevated to a higher level, namely event-driven. When working on a research plan, it is necessary to put many process parameters in a table; when one or several variables are changed, other variables must change as well, and the calculated results should also be updated automatically in the table. This technique, in which data at several points changes automatically along with the calculation results, is called event-driven. Through this approach, engineers can gain a more thorough understanding of the process under study. • Process Parameter Optimizer: The software includes a powerful optimizer with five algorithms to choose from, capable of solving problems with unconstrained, constrained, equal constraint, and inequality constraints. Among them, sequential quadratic programming is a relatively advanced method that enables linear and nonlinear optimization across multiple variables. By using variable calculation tables, it is possible to incorporate more complex economic modeling into the optimizer in order to determine the operating conditions that yield the greatest economic benefits. • Narrow-point analysis tool: By utilizing HYSYS’ narrow-point analysis technique, it is possible to analyze and calculate the heat network in a process, enabling its rational design in order to minimize energy losses. • Scenario analysis tool: When certain variables change according to a certain trend, what is the trend of change for other variables? Understanding these is very important for plan analysis. For example, when studying the effects of changes in the reflux ratio and product quality of a tower on heat load, yield, and temperature, in HYSYS’ scenario analysis the reflux ratio and product quality are selected as independent variables; their range of values and step size are specified, after which HYSYS begins the calculations, producing a summary table at the end. • Hydraulic calculations for various tray types: HYSYS includes the capability to calculate trays such as floating valves, packing, and sieve trays, enabling simultaneous treatment of both the thermodynamics and hydraulics of the tower. • Calculation of arbitrary columns: In the software we have used before, all distillation columns came with a fully comprehensive version provided by the software vendor, allowing users to choose which parts to retain. Question: If a user has a tower with an absorption–analysis section at the upper part and a distillation section at the lower part, how should such a tower be calculated? HYSYS will do. Thanks to the use of goal-oriented programming tools, trays, reboilers, pumps, reflux tanks, and so on are all interrelated **goals. People can combine these targets arbitrarily, making it very convenient to build a variety of custom towers. Thermodynamic methods • Over 1,800 pure components • Property calculation methods: Peng Robinson, BK10, Chien Null, Virial, Soave, Redlich-Kwong, Esso, Tabular, NTRL, Redlich-Kwong, Kabadi, Danner, Chao-Seader, UNIQUAC, Ideal Gas, Zudkevitch, Joffee, Grayson, Streed, Margules, Steam, PRSV, Sour PR, Van Laar, Wilson, Modified Antoine, Sour SRK • Over 16,000 interaction parameters • Pseudo-components • Data regression packages • Crude oil processing: The Crude Oil Manager can process any experimental data provided by the user, convert crude oil into virtual components for calculation, and offers a large number of correlations for the user to choose from • Assay types —— TBP, D86, D1160, D86-D1160, D2887, EFV, Chromatographic • Assay options —— Barometric correction, cracking correction • Property curves —— Viscosity, Density, Molecular Weight Unit operations • Separators: 2-phase separators, 3-phase separators, solid separators, cyclones, vacuum filters, crystallizers • Distillation columns: Absorption/desorption columns, absorption columns with reboilers, absorption columns with reflux, liquid-liquid extraction columns, atmospheric and vacuum distillation columns, rectifiers, component separators, three-phase rectifiers (all columns can be equipped with reaction units for reactive distillation) • Reactors: CSTR, PFR, Gibbs, equilibrium, conversion rate • Heat exchangers: Heat exchangers, LNG multiphase flow coolers, heaters, coolers • Distribution units: Pipes, mixers, branches • Pressure changes: Pumps, compressors, expanders, valves • Logic units: Equilibrium, pre-processing, PID controllers, electronic calculators, transfer function generators, etc. Extend user functionality through Microsoft OLE • With OLE, users can carry out the following developments in HYSYS • Create their own property packages • Add their own reaction equations • Develop custom unit operations • Users can develop their own specialized models using VB or C++. Analysis tools • Process analyzers, data recorders • Focus analysis, heat transfer curves • Property analyzers. Additional module functions of the HYSYS software: ACM Model Export Option. The ACM export module enables the use of HYSYS’ steady-state or dynamic simulation data when creating models in ASPEN series design software ； The Aspen OnLine Option ASPEN interface module allows HYSYS modules to be connected to actual plant data, enabling users to compare the results obtained from process simulations with the actual operating conditions in the plant. The ASPEN Web module of Aspen WebModels allows companies to publish secure, pre-configured modules via the Web. This can allow plant managers, operating engineers, and economic analysts to use more stringent modules to optimize operational parameters and make better business decisions. HYSYS Amines Option: The HYSYS amine treatment module simulates and optimizes gas-phase and liquid-phase amine treatment processes, including single-phase, mixed-phase, or reactive amines. The process of high-precision absorption of hydrogen sulfide and carbon dioxide by industrial solvents was simulated. A more advanced thermodynamic electrolyte module, Li-Mather, can produce more accurate results than the previous modules, especially when dealing with mixed amines. This technology is provided by partner Schlumberger and is based on the AMSIM module in Oilphase-DBR. The HYSYS Crude Module Option simulates the components of crude oil. The virtual components of the constituent petroleum represent the properties of hydrocarbon streams, and predict their thermodynamic and transport properties. The HYSYS Data Rec Option makes use of HYSYS’ online performance monitor and optimization programs to manage data from actual plants. The HYSYS Dynamics Option provides a dynamic simulator entirely based on the HYSYS environment; by comparing the steady-state and dynamic modules, more rigorous and accurate results regarding plant performance can be obtained. The HYSYS Neural Net Option uses data from actual units to simulate processes and operations that are difficult to simulate. Utilizing the data from the HYSYS flow diagram model to form a data network enables the processing of similar situations, which can significantly increase the computing speed. The HYSYS OLGAS Option incorporates the industry-standard calculations for pressure changes, fluid stagnation, and flow rules in multiphase pipelines. The HYSYS OLI Interface Option leverages the advanced technology of the OLI system, enabling HYSYS to analyze complex electrolyte systems. It expands the OLI database and thermodynamic properties, including over 3,000 types of electrolytes. The HYSYS Optimizer Option optimization module employs optimized algorithms based on SQP (Sequential Quadratic Programming) technology. Optimization tools are provided for factory design optimization, online performance monitoring, and optimization programs. The PIPESYS option of HYSYS enables the software to accurately design single-phase and multi-phase fluids, troubleshoot issues, and optimize pipelines. It can analyze the vertical distribution of pipes, inlet devices, the composition of pipe materials, and the properties of fluids. HYSYS Upstream Option provides industry standards for the methods and techniques used to handle petroleum fluids. Product field data can be entered in a user-friendly interface to create the desired capital model. HYSYS Tacite Option provides multiphase flow models for land, offshore, and subsea environments. TACITE is used to simulate multiphase flow with the database that has been proven effective in IFP. It is composed of steady-state modules that calculate pressure changes, fluid stagnation, and flow rules. 3.1.2 HTFS: HTFS was originally a subsidiary of the British engineering consultancy company AEA. In 1997, AEA merged with the Canadian company Hyprotech, and Hyprotech became a subsidiary of AEA; the former HTFS company was taken over by Hyprotech. In July 2002, Hyprotech merged with AspenTech, and Hyprotech became part of AspenTech. Official website: http://www.AspenTech.com/ HTFS2001**7 components: ACOL 6.20 FRAN 2.01 TASC 5.00 APLE 2.10 MUSE 3.20 FIHR 2.00 PIPE 5.20 HTFS.ACOL HTFS.ACOL is a highly powerful air-cooled calculation program that can simulate tube banks or finned tubes, with the fluid surrounding the tubes being air or other gases. The following systems can be simulated and calculated: air cooling, flue gas waste heat recovery systems, air conditioning systems, air dehumidification systems, refrigeration systems, etc. • Computational Pattern Design Patterns: The interactive graphic design method is an exclusive HTFS technology. This way, you can obtain the optimal air-cooler tube bank layout based on the required heat load. It is possible to determine the number of tube banks, the heat exchange units, the number of stages within each unit, and the air flow rate. Multiple options can be provided for the user to choose from. Simulation mode: (1) Given the inlet conditions (gas on the tube side and outside the tube), calculate the outlet conditions; (2) Given the outlet conditions on the tube side and the inlet conditions of the gas outside the tube, calculate the inlet conditions on the tube side; (3) Given the inlet conditions on the tube side and natural convection outside the tube, calculate the outlet conditions on the tube side and the flow rate of the gas outside the tube; (4) Given the inlet conditions on the tube side and the inlet conditions of the gas outside the tube, calculate the flow rate within the tube. (5) Given the inlet and outlet conditions of the tube side and the inlet condition of the gas on the outside of the tube, calculate the flow rate of the gas outside the tube. (6) Calculate the scaling parameters inside the pipe. • Air cooler types: suction type, forced-air type, and natural convection type, which can be used to heat or cool the tube side. The maximum number of pipe stages can be 50. The heat exchanger can have any number of layers, up to 100. HTFS.MUSE • Calculation mode • Design: Uses a simplified method to calculate the geometric dimensions of the cold box and the number of channel layers, based on the process conditions of each flow stream • Analysis: Calculates the heat exchanger given the inlet and outlet conditions • Simulation: Determines the outlet conditions by specifying the geometric dimensions of the cold box, the number of channel layers, and the inlet conditions • Channel allocation simulation: Computes the operating characteristics of each channel in the cold box (up to 240 channels can be considered). The cross-sectional fin temperature distribution of the cold box can be predicted, thereby enabling the study of various flow channel allocation schemes. • Calculation of heat-siphon cryogenic chambers, analysis of flow distribution schemes, and analysis of co-current and counter-current flow • Chamber types: The maximum number of flow streams in a cryogenic chamber can be 15. The heat exchange pattern between the flow streams can be counterflow, co-flow, or cross-flow. Single cold boxes, or composite cold boxes formed by series or parallel combinations of multiple units; these cold boxes can be vertical or horizontal. Thermosiphonic cryogenic boxes can be internal (with a liquid chamber built in) or external (connected through pipes and a liquid chamber at the bottom of the tower). • Types of distributors: Distributors can calculate the pressure drop due to expansion at the inlet and outlet, and they can check whether the flow distribution is uniform. There are combined types and branching types of distributors, and it is also possible to extract a portion of the flow. • Fin characteristic data can be entered manually through the input interface for the heat transfer and pressure drop properties of the fins (straight, porous, corrugated/herringbone, serrated, strip-shaped). If no data is provided by the manufacturer, the fin characteristics can be determined using the characteristic curves built into the software. Thanks to its in-depth and unique research efforts, HTFS possesses a distinctive approach to dealing with the boiling and condensing fluid flow in finned channels. • Program components:
PFIN – Simplified calculation: Used to determine the basic dimensions of a plate-fin heat exchanger during its initial calculation.
MUSE – Standard calculation: Computes the heat exchanger based on a standard flow channel distribution.
MULE – Flow channel distribution correction and manual adjustment of the flow channels.
MUSC – Cross-flow correction.

HTFS.FIHR: This is a program for calculating heating furnaces.
• Functions/Modeling: For a given furnace type, along with its structural dimensions, fuel consumption, excess air coefficient, and the medium to be heated, the software can perform the following calculations: By analyzing heat transfer in the combustion chamber and convection chamber, as well as multi-phase flow dynamics, it is possible to determine the temperature and pressure distributions of the fluid being heated and the exhaust gases. Among them, the pressure distribution of the flue gas is very detailed data ranging from the combustion chamber, through the convection section, to the chimney. The calculation model, for a given furnace type, specifies the heat load in the combustion section (by specifying the exit temperature of the fluid being heated in the combustion zone), and then calculates the required amount of fuel (the input method is the same as that in the simulation mode, but it is necessary to specify the exit temperature of the fluid being heated in the combustion section). Processing capacity: The fluid to be heated can be: • A single-phase fluid (gas phase or liquid phase) • A multiphase fluid (gas-liquid two-phase or gas-liquid-liquid three-phase). The medium to be heated can be distributed in different parts of the heating furnace. This heating furnace can be used for simulation calculations of various refinery and chemical plant cylindrical furnaces, box-type heating furnaces, and heat recovery systems. • Technical features • A powerful online help system and a graphical interface for entering the structural dimensions of the combustion chamber and the convection section. With these functions, users can easily complete modeling tasks. • The heated medium can be divided into up to 10 streams, which can be distributed arbitrarily throughout the furnace. They can operate in counterflow or co-current relative to the flue gas • The medium being heated can be a single-phase flow or a multi-phase flow. They can operate in multi-channel and multi-parallel modes • They can use gas fuel or liquid fuel • Cylinder furnaces or box furnaces. The combustion section can consist of single-row or double-row furnace tubes. The furnace tubes can be arranged vertically or in a spiral pattern, and can be placed in the center of the furnace or along its circumference. The box-type furnace can be single-unit or double-unit. The convection section can be divided into up to 9 sections. The tube can be a plain tube or a finned tube. The convective tube can take into account the radiative heat transfer from the combustion chamber. There are two ways to handle the flue gases: either recover the energy from them (by using the flue gases to preheat the fuel) or not recover that energy. The chimney can be of the same diameter or with a varying diameter. The chimney can be equipped with baffles. The combustion chamber and the convection section can be modeled separately. Various units can be used, such as international units, metric units, and imperial units. The .PSF property file format is supported. Users can transfer data through .PSF files and simulation software. • Property database: During simulation, the following properties are required for the medium being heated: density, specific heat, thermal conductivity, and surface tension of liquids; for multiphase flows, a heat load curve (temperature – enthalpy – vaporization rate) is also needed. To obtain these physical properties, HTFS provides the following method: • Thermodynamic property package: Introduce the thermodynamic package from the HYSYS process simulation software into the HTFS system. Over 1,000 pure components, 6 equation of state options, and 2 activity calculation models are available. • The NEL40 package includes methods for calculating the properties of 40 pure components. • Property data can be provided by process simulation systems through standard PSF property generation files. • Calculation models: Two models can be used for the combustion chamber: • The homogeneous mixing model (single-zone method), which treats the entire combustion chamber as one fully mixed zone; • The zone method, which divides the combustion chamber into several sections along the axis, with each section considered as a small zone. For each zone, radiation heat transfer, convection heat transfer, and various heat balance calculations are performed. Finally, detailed data for each zone are obtained: • Temperature distribution of the smoke and furnace walls • Temperature distribution of the material being heated and the furnace tube walls. The heat distribution of the flame in each zone can be calculated automatically by the model or defined by the user. In the convection section, the temperature and pressure of the flue gas are calculated segment by segment along its flow direction within the furnace tubes. The temperature, pressure of the heated medium, and the wall temperature are calculated for each tube individually. Radiative heat transfer can also be considered in the convection section. The calculation of the pressure drop in the flue gas takes into account each section from the blower inlet to the chimney outlet. • Simulation result output – ranging from concise summary reports to highly detailed analysis reports per tube, the output options of the FIHR software enable you to examine the performance of the heating furnace from various perspectives. Some very important parameters can also be presented graphically. Such as: pressure distribution maps and temperature envelope diagrams, etc. You can gain a deeper understanding of the furnace’s performance through various graphs. FIHR can generate the following reports: • A concise summary report • API data reports • Heat balance reports for each part of the furnace • Heat intensity reports for the furnace tubes • Reports on flue gas temperature and pressure distribution • Reports on the temperature of the medium being heated and the temperature distribution on the surface of the furnace tubes (analysis per tube) • Calculation of the maximum temperature of the furnace tubes • Pressure distribution of the medium being heated per tube. HTFS.TASC is an excellent software for shell-and-tube heat exchangers; it arrived in China as early as the early 1980s. The original member users are spread across the chemical and petrochemical industries. It is renowned for its computational accuracy and engineering practicality. The new generation of TASC features enhanced capabilities, integrating all shell-and-tube heat exchangers together and combining heat transfer calculations with mechanical strength assessments. It can be used in multi-component, multiphase flow condensers, tank reboilers, falling film evaporators, and multiple heat exchanger arrays. And a tube bundle arrangement diagram is provided. • Calculation mode • Design: Optimize the heat exchange area or cost for given process conditions. Calculating various parameters of heat exchangers • Evaluation: Specify the inlet and outlet conditions of the fluid, determine whether the heat exchanger can handle the required load, and calculate the ratio of the actual heat exchange area to the required area • Simulation: For a given heat exchanger, simulate its outlet conditions once the inlet conditions of the process fluid are specified, and calculate the operating performance of the heat exchanger • Simulation of thermosiphon heat exchangers: Simulate the operating performance of thermosiphon heat exchangers, and calculate the flow rate and pressure drop in the pipelines • Heat exchanger types: Includes all TEMA-type heat exchangers, namely the front sections (A, B, C, D), the rear sections (L, M, N, P, S, T, U, W), and the shell sections (E, F, G, H, J, K, I, X) • Single heat exchanger or a group of heat exchangers (up to 12 in series; no limit for parallel connections). Heat exchangers can be arranged horizontally or vertically • The tubes and shells can be plain tubes, low-fin types, radially finned types, or spirally finned types, etc. • Heat exchangers that are not of the TEMA type can also be calculated. Such as double-tube heat exchangers, multi-tube bundle double-shell heat exchangers, etc. • Vertical and horizontal thermosyphon heat exchangers • Vibration inspection • For gaseous, liquid, or two-phase fluids flowing through the shell side, the HTFS.TASC software uses advanced methods developed over many years to assess the possibility of vibrations caused by fluid flow; these methods can predict fluid elastic stability, resonance, fluid shock, etc. The flow stability of thermal siphon heat exchangers can also be predicted. • Optimization of tube array layout • Can handle smooth tubes, low-fin tubes, and axially finned tubes. Contains a database of tubes with low fins • Baffle types: single-notch, double-notch, baffles without tubes at the notch, rod-type baffles • Output results The output includes the following: • Detailed results of the optimized design, including total weight and comparison tables of various options • Design report in TEMA format, compatible with Microsoft word processing software • Plan view of the heat exchanger • Various detailed data on the tubes and the shell side • Reasons that may cause vibration along with detailed descriptions • Ability to predict potential unstable flows (in thermosyphon heat exchangers) Cost calculation, optimization of tube array arrangement, and diagrams of the heat exchanger’s tube arrangement 3.1.3 Aspen Plus Aspen Plus is a large-scale general-purpose process simulation system, a product of the American company AspenTech. Major global manufacturers in the process industries such as chemicals, petrochemicals, and refining, as well as renowned engineering companies, are all users of Aspen Plus. Official website: http://www.AspenTech.com/ Aspen Plus is a large-scale general-purpose process simulation system that originated from a competition organized by the U.S. Department of Energy in the late 1970s at MIT to develop new third-generation process simulation software. The project was named “Advanced System for Process Engineering” (ASPEN for short) and was completed by the end of 1981. In 1982, AspenTech was founded to commercialize it, and it was named Aspen Plus. Through continuous improvement, expansion, and enhancement over more than 20 years, this software has seen the release of over a dozen versions, becoming a globally recognized standard for large-scale process simulation with millions of application cases. Major global manufacturers in the process industries such as chemicals, petrochemicals, and refining, as well as renowned engineering companies, are all users of Aspen Plus. It possesses the most comprehensive set of property data: 1. A complete set of property models based on equations of state and activity coefficient methods – including over 20 types of equations of state models, 15 types of activity coefficient models, more than 10 types of molar volume models, 2 types of vaporization enthalpy models, 13 types of enthalpy, free energy, and entropy models, 4 types of vapor pressure models, and 3 types of gas-liquid equilibrium ratio models. There are also models for the property constants of pure components, two models for the density of composite solids, 5 models for the enthalpy of composite solids, 6 models for thermal conductivity, 4 models for surface tension, 10 models for viscosity, and 3 models for diffusion coefficients. 2. The Aspen Plus database contains property data for over 5,000 pure components, as well as the following databases: the pure component database includes parameters for 5,000 compounds. An electrolyte aqueous solution database containing parameters for 900 ionic and molecular solutes required to estimate electrolyte properties. A solid database containing the Henry’s constant parameters for compounds in 61 aqueous solution species. A binary interaction database with over 4,000 binary interaction parameters for the Ridlch-Kwong Soave, Peng Rinson, Lee Kesler Plocker, BWR Lee Starling, and Hayden O’Connell equation of state, covering 5,000 binary mixtures. The PURE10 database contains property data for 1,727 compounds; it is a relatively comprehensive database based on the DIPPR property database developed by the American Chemical Society. This not only greatly expands on the 1,550-component database of the ninth edition but also features more accurate and reliable parameters. The inorganic substances database includes thermochanical parameters for 2,450 compounds. Combustion database, including parameters for 59 common components and radicals in combustion products. Solid databases, including 3,314 components, are mainly used for components of solids and electrolytes. An aqueous solution database containing 900 ions, primarily used for electrolyte applications. 3. Property data interface with DECHEMA DETHERMA, etc. Spen is the only software approved for interfacing with DECHEMA’s database, which contains the most comprehensive data on gas-liquid and liquid-liquid equilibria in the world, totaling over 250,000 sets of data. Users can also connect their material property data to the Aspen Plus system. 4 Highly flexible data regression system. 5 A property constant estimation system that can estimate the missing physical property parameters by inputting the molecular structure and easily measurable properties. The 6 Redlinch-Kwong-UNIFAC equation of state can be used for non-polar, polar, and associative component systems. Aspen Plus is applicable to mixed solid systems; there are solid-related issues in coal purification and liquefaction, fluidized bed combustion, high-temperature metallurgy, as well as in the industries of solid waste, polymers, biology, and food. In Aspen Plus, the property data for solids comes from two sources: one is the Solid database, which collects a wide range of thermochchemical data for 3,314 pure inorganic substances as well as several organic substances ； The second is the interface with the CSIRO database. Aspen Plus for simulating electrolyte systems: Many companies have used Aspen Plus to simulate electrolyte processes such as acid water stripping, caustic salt crystallization and evaporation, nitric acid production, hydrometallurgy, amine purification of gases, and hydrochloric acid recovery. Aspen Plus provides the Pitzer activity coefficient model and the Chen model for calculating the activity coefficients of substances, including weak electrolytes, salts, and electrolyte systems containing organic compounds. These models have been widely used in industry and have proven to be accurate and reliable. The electrolyte system has three databases of physical property parameters: the water database includes the properties of various ionic and molecular solutes in water ； The data packages for the application of certain special electrolyte systems in acid gas interaction processes were developed jointly by our company’s application department and users. Aspen Plus boasts a comprehensive library of unit operation models. It provides a set of complete models for simulating various processes, ranging from the calculation of individual crude oil distillation towers to the simulation of entire ammonia synthesis plants. Thanks to the advanced PLEX data structure, there are no limits on the number of components, inlet and outlet stream quantities, theoretical plate numbers of the column, or the number of reactions – this is a unique advantage that no other simulation software can match. Furthermore, all models can handle solids and electrolytes. The unit operation model library consists of approximately 50 different unit operation models. Users can add their own custom unit operation models to the Aspen Plus system, which provides great convenience and flexibility for them. The fractionation and reaction models of Aspen Plus are the two most commonly used unit operation models. The multi-stage strict separation model of the distillation model Aspen Plus is developed based on a two-layer structure, internal and external, incorporating the latest system of equations and solution methods. The reactor model of Aspen Plus can be used across a wide range of applications. The simple stoichiometric model (RSTOIC) can be applied simply by specifying the stoichiometry and the conversion rate of a key component in the reaction. When the reaction kinetics are known, more accurate models can be used, such as the continuously stirred tank reactor (RCSTR) model or the piston reactor model (RPLUG). Aspen Plus offers unit operation models and various functions including mixers and splitters, separators, heaters and heat exchangers, multi-stage separation systems, reactors, pumps and compressors, solid handling units, flow controllers, as well as pipelines and valves. Aspen Plus provides fast and reliable process simulation capabilities; it offers all the functions necessary for process simulation, enabling users to easily create input files, achieve rapid and reliable model convergence, and carry out process optimization calculations. These functions include: the ability to simulate subroutines that require online statements according to a process. 1. The Insert function in Aspen Plus can be used to reuse a certain part of a process simulation. For example, for a purification model of an acidic gas, with a set of property input data, one can create their own Insert and store it in the user insertion module library for use. 2. Design specifications can be utilized to achieve the target values specified for the parameters calculated for any module. Aspen Plus features advanced process convergence methods; it employs the most sophisticated numerical calculation techniques, enabling rapid and accurate convergence for straight-loop processes and design specifications. These methods include the iterative method (Wegstein), the secant method, the quasi-Newton method, the Broyden method, and others. Aspen Plus can perform optimization calculations. By utilizing Aspen Plus’ optimization features, it is possible to find the optimal values under factory conditions, in order to maximize any given objective function. There are no restrictions on the number of constraints and variable parameters; any engineering and technical-economic variables can be used as the objective function, such as profit and productivity. An important improvement in the tenth version of the new Wondous standardized user interface, Aspen Plus, is that the entire user interface has been reengineered for a 32-bit 95/environment setup. Tools and systems based on Microsoft Windows’ design standards have been utilized, resulting in an appearance and feel that are very similar to those of other programs familiar to users. The input system utilizes the NEXT EXPERT expert system. Through its Windows-based interactive functions, the biggest advantage of version 10 is its ability to interact with other programs: users can quickly and easily transfer simulation data between Aspen Plus and other applications. This interaction is supported at three different levels: copying/pasting/linking of simulation data, embedding OLE automation interfaces for simulation objects and data, and embedding OLE objects. The simulation engine in version 10 has been redesigned as a shared library structure, which **improves configuration performance**: components can be selected easily and added or removed as needed; internal improvements allow it to operate independently from Aspen Plus’s system programs. **Parts of the model can be accessed over the network**, and additional layers of functionality can be added and updated. Version 10.2 introduces many new features. New features in Aspen Plus 10.2 include: enhanced support for engineering workflows: 1. Support for hierarchical flowchart applications; 2. Full support for flow template technology; 3. Activation and deactivation of flow objects; 4. Addition of new unit operation models. System openness: 1. Calculator – allows spreadsheets or online Fortran to access process variables; 2. Support for the CAPE-OPEN standard, enabling VB, C++, VJ++, and Fortran to be used for creating custom user models; 3. Support for thermodynamic CAPE-OPEN interfaces; 4. COM improves the handling of virtual components and crude oil mixing methods; 5. Enhanced OLE automation interface methods and technologies. Integration with other products in the engineering suite: 1. Custom Modeler: supports unit operation models created using Custom Modeler; 2. Aspen Pinch: replaces Aspen Pinch for calculating the properties of mixed streams when multiple streams enter a unit; 3. Distillation sequence design can be performed directly from Aspen Plus; 4. Interfaces with other products in the suite have also been improved. Enhanced engineering capabilities in Aspen Plus: 1. LMTD correction factors have been added to Heatx; 2. New gas-related models have been added to support the calculation of dimeric, trimeric, and hexameric compounds; 3. Changes and enhancements to the user interface; 4. Property data – improvements have been made to the original property data. 3.2-gPROMS(r) gPROMS® is a general-purpose process simulation software developed by the British company PSE. It is one of the most advanced software packages available today for process modeling, simulation, and optimization. Official website: http://www.psenterprise.com/ or http://www.gPROMS.com/ – Introduction to gPROMS(r): PSE Company (Process System Enterprise Ltd.) is a high-tech company based at the Empire College in the UK. PSE aims to become the world’s leading company providing model-based technologies to the processing industry. Having been at the forefront of this technology development for many years, and with extensive experience in collaborating with users in the processing industry, PSE is capable of providing users with comprehensive and high-quality solutions. The gPROMS(r) process simulation software is a general-purpose process simulation system developed by PSE Corporation, and it represents one of the most advanced software packages for process modeling, simulation, and optimization in the world today. gPROMS(r) is suitable for the processing industry, used to build models of continuous or batch process flows, thereby enabling the simulation and optimization of such processes. gPROMS(r) is widely used in various processing industries such as the chemical industry, petrochemicals, oil and gas processing, papermaking, fine chemicals, the food industry, pharmaceuticals, and biotechnology. The core module of gPROMS(r) is ModelBuilder, which is characterized by structured model development ； Rich library of processing process unit operation models* ； Features experimental parameter design capabilities ； Powerful editing features ； Rich library of practical tools ； Misdiagnosis and result output management ； Enhanced physical property calculation ； There is a Run Time version of gO:RUN ； And enhanced solvers. The go:Simulink and go:MATLAB modules of gPROMS(r) allow process models and process control models created using gPROMS(r)’s ModelBuilder to be incorporated as blocks into Simulink(r) and MATLAB(r) workflows for simulation and calculation. gPROMS(r)’s go:CFD allows chemical reaction engineers to integrate gPROMS(r) with computational fluid dynamics (CFD), taking into account fluid dynamics, heat and mass transfer, reaction kinetics, and more, in order to develop more accurate models of complex reaction systems. PROMS(r)’s go:CAPE-OPEN allows models developed using gPROMS(r) to be run in any simulation software compatible with CAPE-OPEN (Computer-Aided Process Engineering Open Standard), such as AspenPlus, Hysys, PRO/II, and so on. 3.3PRO/IIPRO/II is a chemical process simulation software developed by the American company SimSci-Esscor, and it is widely used in industries such as oil/gas processing, refining, chemicals, chemistry, engineering and construction, polymers, and fine chemicals/pharmaceuticals. Official website: http://www.simsci-esscor.com/ Features of RO/II: Since its introduction to China in the 1980s, the P PROII software has received positive feedback from numerous users and has delivered excellent results. In particular, its unique functions and features are better illustrated by its use in large petrochemical and chemical engineering design institutes. These units include: Beijing Petroleum Refining Design Institute BDI, Petrochemical Beijing Engineering Company BPEC, Huanyu Institute, Tianchen Institute (acquired in 2000), Jihua Institute (acquired in 2000), Fushun Institute, Wushihua Institute, Daqing Oilfield Institute, Daqing Natural Gas Company, and dozens of other units (acquired in recent years). Domestic application status: 1. The newly released PROIIV5.5 in May 2001 featured significant improvements in functionality, enabling online simulation. 2. In terms of practicality, PROII has advantages over other similar software; its development approach is tailored for the oil refining and chemical industry. The calculation models developed by SIMSCI have become international standards. The company also has a team of technical experts available for after-sales support, who can help resolve any difficulties encountered by users, giving it an edge over other software companies in this regard ； The manual contains numerous practical examples ； Make the software easier for users to use. This has been recognized by the institutions. 3. PROII features standard ODBC interfaces, which allow it to be connected to heat exchanger calculation software or other advanced computing software. It can also be linked to WORD, EXCEL, and databases, with the calculation results available in various output formats. 4. Organizations that previously used the ASPEN software, such as BPEC, BDI, the First Chemical Engineering Institute (Tianchen), and Global Company, consider PROII to be more practically useful for engineering purposes. Some chemical and petrochemical institutes are preparing to purchase the PROII software. Software Features and Applicable Industries: Oil/gas processing, refining, chemicals, chemical engineering, construction, polymers, fine chemicals/pharmaceuticals. Simulation applications: Designing new processes, evaluating changes in plant configurations, improving existing plants, conducting assessments and certifications in accordance with environmental regulations, eliminating process bottlenecks, optimizing and improving plant productivity and efficiency. Typical chemical process models in PRO/II: Ammonia synthesis, azeotropic distillation and extractive distillation, crystallization, dehydration processes, inorganic processes, liquid-liquid extraction, phenol distillation, solid handling. Polymers: Radical polymerization, general-purpose polymerization (styrene), low-density polymerization (ethylene), polymerization (methyl methacrylate), polymerization (vinyl acetate), chain-growth polymerization, polyesters, amides – nylon 6, nylon 6/6, nylon 6/12, copolymerization, polymerization (styrene-methyl methacrylate), polymerization (ethylene-vinyl acetate). Refining: Crude oil preheating, atmospheric distillation, vacuum distillation columns, FCC main fractionation columns, coke ovens, gas processing units, gasoline stabilization, naphtha separation and stripping, reactive distillation, shift and methanation reactors, acid-water separators, sulfur and HF alkylation, isobutane removal columns. Chemicals: Ethylene separation columns, C3 separation columns, aromatic hydrocarbon separation columns, cyclohexane processing units, MTBE separation and production plants, naphthalene conversion, olefin production, oxidation processes, propylene chlorination. Gas processing: Amine desulfurization, multi-stage refrigeration, compressor units, deethanization and demethanization columns, expansion devices, gas dehydrogenation, hydrate formation/inhibition, multi-stage operations, platform operations, refrigeration circuits, turbine expansion optimization. Pharmaceuticals: Batch distillation, batch reactions. Generalized flashing models: Flashing, valves, compressors/expanders, pumps, pipelines, mixers/separators. Distillation models: Inside/out, SURE, CHEMDIST algorithms, two/three-phase distillation, four-point estimators, electrolytes, reactive distillation and batch distillation, simplified models, liquid-liquid extraction, design and calculation of packed columns, design and calculation of tray columns, thermosyphon reboilers. Heat exchanger models: Shell-and-tube, simple, and LNG heat exchangers, zone analysis, heating/cooling curves. Reactor models: Conversion and equilibrium reactions, plug flow reactors, continuous stirred-tank reactors, online FORTRAN reaction kinetics, Gibbs free energy minimization, shift and methanation reactors, kettle-type reactors, Profimatics reformer and hydrogenator model interfaces, batch reactors. Polymer models: Continuous stirred-tank reactors, plug flow reactors, wiped-film evaporators. Solid models: Crystallizers/dissolvers, counter-current decanters, centrifugal separators, rotary filters, dryers, solid separators, cyclones. Component databases: A database of over 2,000 pure components, a database based on DIPPR, information on solid properties, a database of over 1,900 component/type electrolytes, non-database components, virtual components and property descriptions, user-defined databases, property determination based on structure, combination of multiple tests, Van Krevelen method for polymers. Mixtures data: Online binary parameters for over 3,000 VLE binary systems, online binary parameters for over 300 LLE binary systems, 2,200 online azeotic mixture data sets for parameter estimation, specialized data packages, alcohol dehydration, natural gas dehydration, data related to triethylene glycol, acid-water data from GPA (GPSWAT), treatment of gaseous and liquid ammonia, thiols. In addition to the basic package, PROII also provides users with the following modules: Interface module * HTFS, PRO/II-HTFS Interface – automatically retrieves property data for streams from the PRO/II database and uses this data to create an HTFS input file. HTFS can then output this file to access various logistics property data. * HTRI and the PRO/II-HTRI Interface retrieve data from the PRO/II database and create an HTRI input file for various HTRI programs. The property distribution table for mass flow rates, derived from the thermophysical property calculations in PRO/II, is provided to HTRI’s sophisticated heat exchanger design program. This reduces the repetition of entering data between the two programs. * Linnhoff March: The precise quality and energy balance results from PRO/II can be transferred to the SuperTarget(tm) tower module to analyze the energy efficiency of the entire separation process. The proposed improvement plan can then have its values determined in subsequent PRO/II runs. Application modules * Batch, stirred-tank reactors, and batch distillation models can **operate or function as part of a regular PRO/II process. The operations can be explained through a series of procedures, offering great flexibility. * Electrolytes: This module makes use of the sophisticated electrolyte thermodynamics algorithms developed by OLI Systems, Inc. As part of this module, the electrolyte application package further expands certain functions, such as generating user-specific electrolyte models and creating and maintaining a private class database. * Polymers can simulate and analyze industrial polymerization processes, ranging from monomer purification and polymerization reactions to separation and post-treatment. The uniqueness of PRO/II lies in its ability to describe polymer composition through a series of average molecular weight fractions, allowing for accurate simulation of polymer mixing and fractionation. * Profimatics, KBC Profimatics reformer and hydrogenator models have been added to PRO/II unit operations. What sets PRO/II apart is that the basic component data and thermodynamic property values modified by these reactions are automatically recorded. 3.4 ChemCAD The ChemCAD series of software is a chemical process simulation program developed by the American company Chemstations. By using it, it is possible to create on the computer data models that correspond to the field devices, and to simulate the steady-state or dynamic operation of these devices through calculations, thereby providing theoretical guidance for process development, engineering design, operational optimization, and technical upgrades. Official website: http://www.chemstations.net/ ChemCAD is a software application used for computer simulation of process flows in the chemical and petroleum industries, refining, oil and gas processing, and other fields. It serves as a powerful tool for engineering professionals to carry out mass balance and energy balance calculations for continuous process units. By using it, it is possible to create data models on a computer that correspond to the field devices, and to simulate the steady-state or dynamic operation of these devices through calculations, thereby providing theoretical guidance for process development, engineering design, and operational optimization. Engineering design: In engineering design, whether it is to build a new plant or renovate an existing one, ChemCAD can be used to select appropriate solutions, study operations under conditions other than those designed for, and assess the flexibility of the plant in handling different types of raw materials. Simulation studies for process design not only help to avoid errors in cost estimation before the delivery of factory equipment, but also enable the optimization of process design through simulation models. Additionally, by conducting a series of operational condition studies, it is possible to ensure that the factory can operate properly over a wide range of conditions. Even in the initial stages of engineering design, this model can be used to estimate the impact of changes in process conditions on the performance of the entire system. Optimization processes: For existing factories, the models developed by ChemCAD can serve as a valuable tool for engineering personnel to improve factory operations, increase productivity, and reduce energy consumption. Simulation methods can be used to determine changes in operating conditions in order to adapt to variations in raw material and product requirements as well as environmental conditions. This model can guide factory operations to reduce costs and increase productivity. Many such examples can be cited for chemical plants where process simulation software performs well. ChemCAD can also be used for technical upgrades to simulate and study rationalization plans for factories in order to eliminate \"bottleneck\" problems, or to assess the feasibility of improving factory performance through the use of advanced technologies such as improved catalysts, new solvents, or new process units. ChemCAD unit operations: ChemCAD offers a large number of operational units for users to choose from, and these units are sufficient to meet the needs of typical chemical plants. Various calculation methods are provided for reactors and separation towers. ChemCAD can simulate the following unit operations: Distillation, stripping, absorption, extraction, azeotrope formation, three-phase azeotropy, azeotropic distillation, three-phase distillation, electrolyte distillation, reactive distillation. It can also model reactors, heat exchangers, compressors, pumps, heating furnaces, controllers, turbines, expanders, crystallization tanks, centrifuges, cyclones, wet cyclones, Venturi scrubbers, bag filters, vacuum filters, crushers, grinders, electrostatic collectors, washers, and sedimentation separators. There are over 50 such unit operations in total; ChemCAD can organize each of these operations to create process diagrams for entire workshops or plants, thereby enabling comprehensive simulation calculations. ChemCAD Thermodynamics: ChemCAD’s thermodynamics and transport property packages offer a variety of options for calculating values such as K, enthalpy, entropy, density, viscosity, thermal conductivity, and surface tension for process systems. The thermodynamics module of ChemCAD offers a large number of up-to-date methods for calculating thermal and phase equilibria, including 39 methods for calculating K values and 13 methods for calculating enthalpy. These calculation methods can be applied to natural gas processing plants, refineries, and petrochemical plants, and can handle straight-chain hydrocarbons as well as special systems such as electrolytes, salts, amines, and acidic waters. The ChemCAD thermodynamic database contains over 8,000 pairs of binary interaction parameters for use with the NRTL, UNIQUAC, MARGULES, WILSON, and VAN LAAR activity coefficient methods. The regression function provided by ChemCAD can also be used to regress the binary interaction parameters. ChemCAD provides a thermodynamics expert system to assist users in selecting appropriate K values and methods for enthalpy calculation. ChemCAD can handle multiphase systems and also take into account the effects of vapor association. ChemCAD has a function for handling solids. For hydrogen-containing systems, ChemCAD uses a special method to handle them, enabling reliable prediction of the abnormal bubble point phenomenon in hydrogen-rich mixtures. ChemCAD allows different thermodynamic methods or different binary interaction parameters to be applied to different units or trays. ChemCAD property database: ChemCAD provides three types of component databases – standard, shared, and user-defined. Standard property database: The standard database is based on the AIChE DIPPR database, with an additional approximately 2,000 pure substances including electrolytes. The user database ChemCAD allows users to add up to 2000 components to the database. It enables the definition of virtual hydrocarbon components for refining calculations, and property data can also be embedded through neutral file formats. Starting from version 5.3, ChemCAD provides evaluation databases for over 200 types of crude oils. ChemCAD equipment design: ChemCAD provides functional modules for designing and calculating various types of equipment. Equipment design and calculation: ChemCAD can be used for the design and calculation of plate towers (including sieve plates, bubble trays, and floating valves), packed towers, pipelines, heat exchangers, pressure vessels, orifice plates, control valves, and safety valves (DIERS). These modules share data from process simulation, allowing users to easily perform calculations and design for various main equipment after completing the process calculations. ChemCAD also provides a function for estimating equipment prices, allowing users to get a preliminary estimate of the cost of such equipment. Other features of ChemCAD include its ease of use, high level of integration, and user-friendly interface. ChemCAD has the shortest learning curve. It is simple to install. ChemCAD can run on Windows 95, 98, and NT. No special configuration is required during installation; as long as the encryption lock (or key) is placed correctly, it will generally function properly. A beginner in computers can also **complete the installation of the entire system. Support for various output devices: ChemCAD supports a range of output devices for generating hard copies of processes, unit operation diagrams, symbols, process flowcharts, and drawings. It can be output to dot matrix printers, laser printers, any device that supports the Adobe Postscript language, as well as plotters. It can also be exported directly to files, and the output can be converted into AutoCAD DXF format. If both AutoCAD and ChemCAD are installed on the same computer, the user can specify the location containing AutoCAD, and all DXF files generated by ChemCAD will be automatically saved in the AutoCAD directory. User-friendly interface: ChemCAD has always been renowned for its simplicity of use and user-friendly interface. The current version, ChemCAD 5.3, runs on Window 95/NT and Windows 2000 systems. In accordance with Microsoft Windows design standards, the Microsoft toolkit and Windows Help system are used, which makes ChemCAD appear and feel very similar to other Windows programs that users are familiar with. ChemCAD divides the screen into 4 areas; the top row is the status area, which displays the job directory, version number, etc ； The second line displays the top-level menus; these menu items are carefully arranged, from left to right, representing each of the main steps involved in performing simulation calculations using ChemCAD. Under each top-level menu is a set of pop-up menus that include the various functions built into ChemCAD; these menus allow one to carry out most of the tasks required in simulation calculations. The home screen is occupied by the process window ； The bottom row of the screen is called One Line Help, providing a brief description of the current action. The screen layout is simple, based on a menu system, with concise input requirements; such a user-friendly graphical interface makes it easy for beginners to get started. Through the Window interaction feature, the biggest advantage of Version 5 is its ability to enable interaction between ChemCAD and other applications: users can quickly and easily transfer simulation data between ChemCAD and other applications. Version 5 supports this level of interactivity at three different levels; these new features enable the benefits of process simulation to be **extended to other stages of engineering work**. ①Copying/pasting/connecting of simulation data: For example, using the copy/paste/connect functions, the profile of a tower along with the simulation results for the inlet and outlet flow rates can be pasted into an Excel spreadsheet for further analysis. This eliminates errors that occur from manual transcription. ②The target connection of simulation objects and data is embedded in an OLE automation interface; for example, through this OLE automation interface, your simulation can be controlled using Visual Basic programs. A documented interface can be created using Visual Basic or Visual Basic for Applications (VBA) programs to access and control process models. ③Embedding OLE objects: For example, a interface for factory operators can be developed using the Visual Basic for Applications (VBA) macro language to connect with ChemCAD models, so that certain calculation results from those models are displayed directly on the screen to guide the operators in their tasks. The comprehensive help system, ChemCAD’s Hand-Holding, can act like a real teacher, guiding users step by step on how to initiate and complete a simulation calculation. It assists users through the process of generating procedures, prompts them to enter components, invokes thermodynamic expert systems, and leads them all the way to the start of the calculations. Whenever each step of the problem is completed, ChemCAD checks the status of that step. The “One line help” mentioned above is also a feature of ChemCAD. Additionally, the on-demand “F1” help can answer most of users’ questions. The input system utilizes an expert detection system, allowing users to avoid the hassle of checking for any omissions or grammatical errors in their inputs. The expert system will automatically guide you on what data to enter next and indicate whether each step has been completed correctly. The selection of a thermodynamic method is a challenge in simulation calculations; an incorrect thermodynamic method will render the calculation results meaningless. ChemCAD provides a thermodynamics expert system that allows users to input temperature and pressure ranges, after which ChemCAD recommends a suitable thermodynamic method based on the components and the input data, thereby greatly facilitating users. Easy operation and condition management: The operation and condition management features allow users to easily restore, copy, or delete processes ； For each project, you can enter an account name and some descriptive text, so that users can clearly select the desired process when starting the project ； ChemCAD can even record the time spent on each project. In the ChemCAD system, each job corresponds to only one file, unlike other process simulation software systems where one job involves numerous files. Flexible use: With ChemCAD, users can define new components, icons, and symbols. They can also use simple computer languages to create their own device models and calculation programs. ChemCAD also takes into account the situation where multiple users share the same computer; different users can define their own components, icons, and symbols in separate directories, without interfering with one another. Thanks to its powerful computing and analysis capabilities, ChemCAD can solve almost all unit operations, and it can also handle very complex circulation loops with ease. In ChemCAD, users can specify the breaking flow streams, and the RUN command allows for easy control of the calculation sequence, which is highly beneficial for the convergence of full-process simulations and can accelerate the convergence of the iterations. ChemCAD’s automatic calculation feature boasts advanced interactive capabilities, allowing users to determine the composition of a stream without defining its flow rate. ChemCAD also features advanced optimization and analysis capabilities. The sensitivity analysis module can define 2 independent variables and up to 12 dependent variables, while the optimization module can find the maximum and minimum values of a function with 10 independent variables. Instant PFD generation: ChemCAD provides integrated tools for users to create process flow diagrams (PFDs). Using it, a PFD can be established quickly and efficiently. For a specified process, multiple PFDs can be created. If the process is changed in some way, this change will automatically affect all relevant PFDs; if recalculation is performed, the new results will also be automatically sent to all relevant PFDs. In a PFD, it is convenient to include data frames (heat and mass balance data), unit data frames (specifications and results of unit operations), titles, textual annotations, company codes, and so on. The report format is optional; ChemCAD allows users to output reports as required. In the report, it is possible to select the streams and unit operations to be output, and the data included in the streams can also be defined. For distillation columns, detailed data can be output, including the reflux ratio, temperature, pressure, and the vapor-liquid flow rates on each tray ； For heat exchangers, a heating curve can be generated. The format of the report can also be defined; the user can decide on the number of digits after the decimal point, among other things. Integrated with device calibration and tool modules, ChemCAD includes functional modules for the design and analysis of distillation towers, pipelines, heat exchangers, pressure vessels, orifice plates, and control valves; it also features the CC-Therm module, which is dedicated to the design and analysis of air coolers and shell-and-tube heat exchangers. These modules share data from process simulation, allowing users to easily perform calculations and design for various main equipment after completing the process calculations. ChemCAD also provides a function for estimating equipment prices, allowing users to get a preliminary estimate of the cost of such equipment. The ChemCAD tool menu includes several functional modules such as CO2 solid prediction, hydration prediction, pressure relief valves, and data regression. Among them, the CO2 solid prediction module calculates the fugacity and initial temperature for the formation of CO2 solids ； The hydrate prediction module estimates the conditions for the formation of hydrates from hydrocarbons and gases, and also calculates the composition of the hydrated phase based on free water ； The pressure relief valve module calculates the performance of the relief valve under emergency and normal conditions, including a combustion model and a pressure relief model ； Dynamic simulation is supported. Chemstations has developed a large number of dynamic operation units, including the dynamic distillation simulator CC-DCOLUMN, the dynamic reactor simulator CC-ReACS, the batch distillation simulator CC-Batch, and the dynamic polymerization reactor simulator CC-Polymer. All these modules are fully integrated into ChemCAD, sharing ChemCAD’s database, thermodynamic models, as well as utility and equipment calculation modules. During the dynamic simulation, users can adjust various process variables such as temperature and pressure at any time, and observe their impact on the product as well as the patterns of change. You can also stop at any time and return to static. ChemCAD provides control units for dynamic simulation, such as PID controllers, transfer function generators, digitally controlled switches, and variable calculation tables; these can be used to control any specified variable in a process. Using dynamic simulation, users can: ① determine start-up and shutdown plans; ensuring the safe and smooth start-up or shutdown of a plant is a key technique in production. ChemCAD can be used to simulate start-up and shutdown processes, allowing one to observe the changes in various process parameters during these phases, thereby enabling the evaluation of different start-up and shutdown strategies. ②Calculating special unsteady-state processes: When the pressure and temperature inside a system are unstable, steady-state software cannot be used to calculate emergency venting of the system; instead, the process transfer functions provided by ChemCAD Dynamical must be utilized, applying the principle of differential approximation to carry out such calculations. With this new tool, engineers can solve many engineering problems that were previously unsolvable. ③Production guidance and optimization: Since ChemCAD’s dynamic calculations are based on rigorous thermodynamic models, it is able to accurately simulate the dynamic operation of a plant. It also allows the process parameters of the plant to be adjusted to various extreme conditions, in order to determine the optimal operating state of the plant or to analyze the causes of any production issues that may arise. Economic evaluation function: By using CHEMCAD, it is possible to conduct economic evaluations alongside process calculations; users can estimate capital costs and operating costs, as well as carry out technical-economic assessments of the processes. The technical-economic evaluation method of ChemCAD is closely integrated with the methods used in the industry. Economic evaluation can be applied at any stage of a project, from the research and development of the manufacturing process, design, plant construction, to plant operation. When using all the functions of the economic evaluation system, CHEMCAD retrieves the data required to determine the size of the computing equipment from the simulation results, and then conducts a comprehensive economic analysis. Users can also save their own price indicators and calculation formulas in the system to use as a basis for calculations. ChemCAD’s data regression system features a highly flexible system for performing data regression; it can be used to determine material properties from experimental data, and is applicable to the regression of properties of pure components, binary interaction parameters, electrolytes, reaction rate constants, and more. A data regression system can estimate missing physical property parameters by inputting easily measurable properties (such as boiling point), and it can determine the binary parameters in activity coefficient models. This feature is particularly useful when the simulation process includes new chemicals for which experimental data is lacking. Methods for calculating thermodynamic properties: CHEMCAD provides a large number of up-to-date methods for calculating thermal and phase equilibria, including 39 methods for calculating K values and 13 methods for calculating enthalpy. The K-value methods are mainly divided into four categories, including the activity coefficient method and the equation of state method. The activity coefficient method encompasses UNIFAC, UPLM (UNIFAC for Polymers), Wilson, T. K. Wilson, HRNM Modified Wilson, Van Laar, Non-Random Two Liquid (NRTL), Margules, GMAC (Chien-Null), Scatchard-Hildebrand (Regular Solution), and others. Methods for calculating enthalpy include Redlich-Kwong, Soave-Redlich-Kwong, Peng-Robinson, API Soave-Redlich-Kwong, Lee-Kesler, Benedict-Webb-Rubin-Starling, Latent Heat, Electrolyte, and Heat of Mixing by Gamma, among others. Other features of ChemCAD: ChemCAD also boasts ease of use, high integration, and a user-friendly interface. It is easy to install, supports various input devices, features a comprehensive help system, and boasts powerful computing and analysis capabilities. .5Design II is a process simulation software developed by the American company WinSim Inc. After 29 years of development and improvement, Design II has become a pioneer in process simulation innovation ； Many innovations of Design II, such as online Fortran and strict tower calculations, have established the standards for process simulation. Official website: http://www.WinSim.com/ WinSim Inc.’s process simulation software was the first of its kind to be developed in a Windows environment. It can be used for hydrocarbon and petrochemical products as well as natural gas processing. Pipeline injection of natural gas, as well as equipment for ammonia, methanol, and hydrogen, offers precise process simulation! The DESIGN II process simulation software, after 29 years of development and improvement, has become a pioneer in the transformation of process simulation. Many innovations of DESIGN II, such as online FORTRAN and rigorous column calculations, have established the standards for process simulation. Thus, DESIGN II became the basis for DESIGN II for Windows. DESIGN II is a powerful process simulation engineering tool that can perform heat balance and mass balance calculations for a large number of pipelines and unit operations. The simple and precise modules of DESIGN II allow process engineers to focus on engineering rather than computer operations. DESIGN II for Windows provides a free-format text window that requires only a small amount of input data and DESIGN II commands. DESIGN II offers some advanced features such as the calculation and design of heat exchangers and separators. DESIGN II for Windows includes a database of 879 pure compounds as well as the vast majority of hydrocarbons up to C20. It also includes world crude oil data with 38 known characteristics. Application properties              Two-phase pipeline models             Expander and desorption units
Ethyleneglycol plants            Amine absorption units             Oil production and transportation
Exact oil column models         Design and calculation of heat exchangers     Design and calculation of separators
Data regression for gas-liquid and liquid-liquid phases
Whether it’s about providing a quick answer to a simple pressure drop problem or carrying out process simulation for a large-scale plant, DESIGN II for Windows is the best choice. The unit operations in a process, as well as the scale and complexity of the materials flow and components, are all limited by the computer’s ability to handle processes. The creation of a process can be carried out according to the user’s needs, through window input in Windows, through keyword input, or by combining both methods. DESIGN II for Windows primarily offers a first-class flow-rate-based amine absorption gas processing model. ChemTran can provide the property data required for all process simulations and integrate with DESIGN II for Windows. This is the best method for some less commonly used properties that must be calculated in non-ideal chemical engineering systems and light hydrocarbon systems. The pure component ChemTran contains the largest database of pure components for industrial use. Including all the thermodynamic properties of 879 pure components. The input of the molecular structure simplifies the estimation of material properties using functional group techniques. Mixtures support most regression methods. The ChemTran regression method includes regressions for binary, ternary, and quaternary systems. Regression methods can be used to estimate thermodynamic properties from various common equilibrium data. These methods can handle gas-liquid equilibrium, liquid-liquid equilibrium, gas-liquid-liquid equilibrium, and gas-liquid-liquid-liquid equilibrium. Usability: The features of ChemTran are easy to understand – keyword input, easy-to-read output, and a great format for the results. The data is regressed using eleven general formulas, thereby ensuring that your requirements are always met. The information for each performance is well organized under easily findable headings. The specific guidance for each feature is very comprehensive and easy to understand. Properties of pure components in CHEMTRAN: Input data include normal boiling point, critical temperature, dipole moment, association parameters, isothermal specific volume, molecular weight, eccentricity factor, critical volume, solubility parameter, and molecular structure. Regression is used to determine properties such as ideal gas heat capacity, vapor pressure, density, thermal conductivity, K value, latent heat, surface tension, viscosity, and enthalpy in both gas and liquid phases. Normal boiling point, critical pressure, solubility parameter, ideal gas heat capacity, vapor pressure, density, thermal conductivity, critical temperature, eccentricity factor, surface tension, viscosity, and enthalpy can also be determined. For mixture data, methods such as regression of empirical data, binary interaction parameters, the UNIFAC functional group approach, and regular solution theory are employed. Equations used include Peng-Robinson, Modified Peng-Robinson, Soave, API Soave, Renon (NRTL), Wilson, UNIQUAC, Edwards (for electrolytes), BWR/BWRS, Soave-Kabadi-Danner, and Vapor Phase Association. Advanced features include online FORTRAN – which allows FORTRAN 66 commands to be directly incorporated into DESIGN II’s input files. Typically, this technology is required for certain process simulations with precise requirements. Process optimization — Process optimization is a powerful feature of DESIGNII, as it can simplify complex design tasks and save time. Just a few simple keywords are sufficient to define the range of variation for the design variables, from minimum to maximum, so that the target value is reached within the limits set by the process. Operating condition study -- The operating condition study module allows engineers to run several similar operating conditions simultaneously in order to conduct sensitivity analysis of the process. Condition analysis allows you to generate result tables and visualize the influencing factors. This feature also improves design efficiency. Only one condition study module is allowed per process, and each condition study module can have a maximum of 25 conditions. All parameters are changed, and then the new parameters are fed into the process to simulate it again. The PIPELINE MODEL DESIGN II for Windows offers comprehensive pipeline modeling and design applications. It’s not just a simple calculation of pressure drop. For example, in single-phase flow, two-phase flow, and piping systems, the following can be calculated: pressure drop, flow velocity, the ratio of flow velocity to the speed of sound, and nominal diameter. DESIGN II for Windows can also accurately calculate all heat transfer values as well as the elevations associated with the piping systems. Materials can range from aluminum to stainless steel. You can also obtain a plug flow analysis of condensate movement in the pipeline system. This is very important in light hydrocarbon systems, such as natural gas extraction in oil fields