Chemical Engineering Software
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| 3D molecular modeling without the steep learning curve Draw in 2D Let chemsite build the molecular in 3D Export 3D molecular graphics for visualization and publication. Interactive 3D modeling and real-time animation lets you use molecular building blocks or atom-by-atom construction to visualize even the most complex structures -- whether protein, DNA, organic or inorganic -- as fully-realized, space-filling entities. You can even create and playback movies of molecular dynamics simulations. You can easily build all types of organic molecules, from small molecules, to proteins and DNAs. Create stunning presentations with photo-realistic rendering tools such as Bezier curves, Ray-tracing, Phong shading and texture-mapped atom symbols... and a single mouse-click exports ChemSite images to any other Windows application. Powerful analysis features include tools and techniques formerly found only on workstation-level modelers. Full support for stereo chemistry, for instance, with dashes and wedges around chiral centers and auto-determination of R and S stereo centers is a part of the ChemSite package. Plus measurement tools ranging from inter-atomic distance to molecular weight and energy calculation, and more. Calculate and display electrostatic potential surfaces Modeling Features: Molecular models may be constructed in a variety of ways. A sketching tool is provided with automatic 2D to 3D conversion for easy building of inorganic and organic molecules. Organic molecules may be built from common organic functional groups and fragments. Peptides and proteins may be built with both D and L amino acids. Single and double stranded DNA/RNA polynucleotides may be constructed with ease. Visualization Features: Models may be viewed as stick figures, balls and sticks, CPK or with polymers as ribbons or extrusions. With stick figures, molecular models may be rotated in real time with the mouse. The program features ray tracing and texture mapping for the utmost in molecular graphics realism. Rendering styles may be mixed as desired. With high resolution displays, photo realistic display of molecular models are easily created. Images may be printed, saved as .BMP or TARGA files, or exported through the clipboard to word processors and desktop publishing programs. ChemSite brings state of the art workstation quality graphics capabilities to the pc. Molecular Mechanics: Features ChemSite performs energy minimization and molecular dynamics simulation. Available force fields include Amber, mm2 and the ChemSite's default cm+ force field for accurate calculations with almost any molecule. The program performs real time animation of energy minimization and molecular dynamics simulation with small to medium size molecules. With large molecules such as proteins, movies of molecular dynamics simulations may be recorded to disk and played back for real time animation. Supported File Formats: ChemSite reads and writes the following file formats: ChemSite library (.lib) ChemSite system (.syc) Brookhaven Protein databank (.ent and .pdb) MDL mol file (.mol) Mopac Z-matrix (.zmt, .mop) Connectivity table (.ct) Cartesion A (.cta) Your ChemSite package includes: Single user license and software package Comprehensive illustrated instruction manual Extensive library of organic & biological molecules ~ HYSYS ~ MATLAB 7.4 R2007a ~ Chemcad v5.2 |
| Chemical Engineering Software ~ Packages of programs ~ The Energy Analyst THE ENERGY ANALYST is a series of twenty-six sophisticated, engineering programs for the engineer who specifies, operates, or tests power plant components or evaluates energy alternatives. For more than 10 years, more than 2000 users have attested to the power and professionalism of these programs. And now with a complete conversion to the Windows format, each program has a friendlier, interface that will get you running in no time. The data handling techniques make your job easier, and although documentation is provided, it is seldom needed because the "fill-in" forms lead you by the hand at each step of the analysis The input data and the results can be printed with a single command and are in a form ready for inclusion in your final reports. The Energy Analysis Demonstration Programs The Energy Analyst is a collection of 26 separate programs, of which there are numerous demonstration program. These are listed below. Feel free to download any or all of them! Cogeneration Economics (1.9 MB) Combustion Analysis (3.2 MB) Gas Compressor (3.3 MB) Duct Design (3.4 MB) Gas Expander (6.4 MB) Flash Tank Economics (3.5 MB) Gas Turbine (3.5 MB) Shell and Tube Heat Exchange Nozzle and Orifice Flow (3.2 MB) Pipe Network (Hardy Cross) (6.1 MB) Psychrometrics (3.2 MB) Centrifugal Pump (7.4 MB) Steam Turbine (9.4 MB) Surface Condenser (1.7 MB) Cooling Tower (3.5 MB) ~ Energy Conversion - Version A Engineering Software has developed a new Windows based software package, Energy Conversion, that quickly, easily and reliably calculates thermodynamic and transport properties of gaseous, liquid and solid species, contains coefficients for the calculation of physical properties -- the user has the capability to use the coefficients to carry out independent engineering calculations involving physical properties of various species, steam approximations for both saturated and superheated areas, analyzes power cycles, power cycle components/processes and compressible flow. This software package should prove to be a good tool for those who are involved at various levels with design, operation and management of energy conversion systems. It should provide the user with the opportunity to more quickly, easily and effectively do his/her work, explore more options, save time and give more confidence in carrying out engineering calculations. ~~ Energy Conversion - Version B Engineering Software has developed a new Windows based software package, Energy Conversion, that quickly, easily and reliably calculates thermodynamic and transport properties of gaseous, liquid and solid species, steam approximations for both saturated and superheated areas, analyzes power cycles, power cycle components/processes and compressible flow. This software package should prove to be a good tool for those who are involved at various levels with design, operation and management of energy conversion systems. It should provide the user with the opportunity to more quickly, easily and effectively do his/her work, explore more options, save time and give more confidence in carrying out engineering calculations. ~ Fluid flow ~~ Piping Pressure Loss This program calculates the pressure loss of fluids flowing under pressure in circular pipes. The program can calculate flow in either compressible mode (for gases) or incompressible flow. It allows a choice of units: gpm, pph, scfm, or acfm. Any single-phase liquid or gas can be accepted. The properties of water, steam and air are built in. ~ Pipe Network (Hardy Cross) This program uses the iterative Hardy-Cross algorithm to determine the flow and pressure loss in each leg of a series-parallel pipe network. ~ Processing, Storage Tanks, Pressure Vessels, Mixing Systems ~ CerebroMix CerebroMix is a unique PC-based program which encompasses all the functionality of the other Cerebro products, CerebroTank, CerebroPV and CerebroMixLight. It is an indispensable tool for anyone involved in the evaluation and design of mixers in vertical tanks, either pressurized or atmospheric. Using input data such as primary dimensions, fluid properties and certain desired mixing objectives, the program will output full operating conditions, critical impeller speeds, liquid level gradation, solid suspension and all system dimensions. CerebroMix also allows the analysis of storage and process tanks, vertical or horizontal, pressurized or atmospheric. Using input data such as principal dimensions, fluid density, material, desired tank shape (including heads) and support type, the software calculates structural characteristics for both the tank and the support structure using ASME Section VIII, Division 1 and EN 13445 standards. This software allows users and manufacturers of pressure vessels and mixers to check their equipment for various operating conditions, in order to provide a full analysis of performance, as well as risk assessment. The program produces output in the form of a Microsoft Word Document, with all data listed in tabular form, together with a scale drawing of the tank and its support structure. ~ CerebroPV CerebroPV is an easy-to-use PC program to assist in the evaluation and design of vertical and horizontal storage tanks, running either pressurized or at atmospheric conditions. Using input data such as principal dimensions, fluid density, material, desired tank shape (including heads) and support type, the software calculates structural characteristics for both the tank and the support structure using ASME Section VIII Division 1 standards.This software allows both users and manufacturers of pressure vessels to check their equipment for various operating conditions, in order to provide a risk assessment. The program produces output in the form of a Microsoft Word Document, with all data listed in tabular form, together with a scale drawing of the tank and its support structure. ~ CerebroTank CerebroTank is an easy-to-use PC program to assist in the evaluation and design of vertical and horizontal storage tanks. Using input data such as geometric dimensions, fluid density, support type, tank material and shape (including heads), the software calculates structural characteristics for the tank and the supports (legs and saddles). Using the wall thicknesses provided by the software, the user can select from a database of standard plate thicknesses; these thicknesses will be factored depending on the degree of corrosiveness of the liquid. The program also gives flange thicknesses for the tank head, allowing for weld efficiency. ~ Combustion ~ Enviropak Enviropak is a combustion calculator and incinerator design package for organics. The user can choose from the resident database of compounds or define new compounds. Recovery heat exchange, combustor sizing and destruction efficiency are all features of this powerful software package. Included is a useful combustion properties estimation module. Output includes analysis of combustion gases with computed temperature and residence times. ~ Combustion Analysis This program calculates boiler efficiency using the heat loss method of the ASME Boiler Code PTC-4.1. The program accepts the ultimate analysis of any fuel, % by weight for liquids and % by volume for gases. It performs a stochiometric analysis of the combustion and calculates the individual losses, the quantities and types of gases produced, and the air flow required for the given % excess air. ~ Psychrometrics ~ Psychrometrics (Metric and US units) This program provides Psychrometric properties of air given two properties as input values at a known altitude (or atmospheric pressure). The properties are determined using the ideal gas law for the behavior of air. Once the properties are determined, the point is indicated on the Psychrometric chart. Process lines can be connected between any two know points, this will provide the user with the differences in moving from one point to the next. Additionally, this program will allow the user to perform some basic HVAC calculations that depend on psychrometrics. ~ Psychrometrics This program calculates the properties of a mixture of air and water vapor such as used in HVAC applications. In addition, the porgram calculates the results of the four most common types of heating and cooling psychrometrics processes. ~ Heat Transfer ~ PHEdesign1.0 PHEdesign1.0 program for simulations of the plate heat exchanger. By setting our controlled variables and material properties, the optimum plate dimensions and materials can be selected by the computer program. These are included rate of heat transfer, the size of plate heat exchanger, and chevron angle (beta) between 25 to 65 degrees under single pass condition. Also this program is capable of calculating the pressure drop in plate, from which the energy and material can be saved by decreasing the pressure drop (decreasing horsepower per unit area) and increasing chevron angle. ~ Space Heating Load This program calculates the maximum heating load required in a space (single zone) so that a furnace can be sized. Heat transfer coefficients are built in for many types of wall, floors, doors, windows, etc. Custom values can also be used. The heat needed for infiltration & humidity control are also calculated. Final furnace sizes are tabulated with several values of efficiency. ~ Surface Condenser This program, for analysis of turbine steam condensers, can either calculate the performance of a known condenser, or can calculate the design requirements of a new condenser for a known steam load. The steam and condensate properties are built in. Also a complete range of tube properties are built in. The cleanliness of a given condenser can be etermined quickly using a trial and error method. ~ Cooling Tower Cooling Tower Analysis is a powerful, user friendly, program for the analysis of induced, mechanical-draft, counterflow cooling towers. The program can be used for the analysis of existing towers or for the preparation of specifications for new towers. ~ Steam Heater This program calculates the performance of a steam, shell-and-tube heat exchanger of known construction using rigorous formulations. Steam and water properties are built in. The type of fouling can be specified. The shell-side fluid is always steam. The tube side fluid can be any non-condensing fluid. ~ Heat Recovery Steam Generator This program calculates the amount of steam that can be generated by a fired or unfired waste heat boiler (Heat Recovery Steam Generator). The steam and condensate properties are built in. The program first calculates a design mode and then an "off- performance mode" for changed conditions. Note: the purpose of this progam is to predict the amount of steam that can be generated from a waste heat source. The program does not calculate the square feet of each section of the HRSG. Instead it calculates the value of U x A. ~ Insulation Economics This program calculates the heat loss and surface temperature of an insulated pipe of specified diameter and internal temperature. It then calculates the present worth cost, $/foot, to own and operate each insulated system. This allows the user to select the optimum insulation thickness for each pipe based either on the cost of the insulation and heat loss or on the maximum acceptable surface temperature. Four types of insulation are supported. Pipe sizes through 36" are included. Three layers of insulation are supported ranging in thickness from 0 to 10". ~ Shell & Tube Heat Exchanger Heat Exchanger Performance is a powerful, user friendly, program for the analysis of two types of Heat Exchangers: Shell & Multi- Tube Exchangers, and Double Pipe Exchangers. In either case, the tubes are of the bare-tube type. The program will analyze the performance of a known heat exchanger: Given the flows and inlet temperatures of the Tube-side fluid and the Shell-side fluid, the program will predict the exit temperatures of both fluids and the total heat exchanged. ~ Physical Properties and Steam Tables ~ TriMAX Tri MAX™ is a powerful software resource for the practicing engineer, chemist, or student. It is your best source of data. Through the use of menus: data and functionality are put at the finger tips of the power user. Tri MAX™ provides data such as periodic table, steam tables, heat capacities, critical values, viscosities, diffusion coefficients, thermal conductivities. Math functions are also provided, such as linear regression, quadratic equation, curve fitting, and a calculator that goes far beyond the standard calculators available for Microsoft™ Platforms. ~ zCalc Compressibility calculator for natural gas mixtures using the American Gas Association methodology from their AGA-8 Report. The software quickly takes a mixture of natural gas (up to 20 components) and calculates the compressibility, molar density, mass density, base compressibility and supercompressibility. ~ Steampak Steampak is a high-accuracy steam and water physical properties database and process calculator. Steampak's algorithm is based on the equation of state of Keenan, Keyes, Hill and Moore which is the basis of the published International Steam Tables. The process calculator allows calculation of steam compression and expansion processes at user-selected efficiencies including isentropic & adiabatic expansions and flash calculations. ~ Chempak Chempak is a powerful physical properties software package giving details of thermodynamic and transport properties of over 600 common organic and inorganic compounds as functions of temperature and pressure. All common chemical engineering constant and variable properties are included. Liquid and vapor phases are covered as well as saturated and unsaturated states. Mixtures of database compounds and new liquids can be defined. Numerical and graphical output are supported. Chempak links to Chempak II - Madison's user-defined compounds software package. ~ Chempak II Chempak II enables the user to define the thermodynamic and transport properties of new compounds not already in the Chempak database. From as little information as the compound chemical formula, the user can build up a complete profile of the compound properties and add the compound to the Chempak database for future recall and calculation. Chempak II allows the user to enter known property data and also provides sophisticated estimation methods where no data is available. Chempak II provides the perfect companion software to Chempak. ~ Steam Properties This program calculates the properties of superheated, saturated, or wet steam. In addition it calculates the properties of saturated water. ~ Steam Tables (Metric and US units) This program provides the thermodynamic properties of water using IFC formulation for industrial use. Knowing any two properties, the user is able to completely define the properties of water/steam. Unlike most steam table programs, this program also provides the user with the point's location on the T-S diagram. Multiple points can be connected by a line, defining the user's process system. It even gives you the steam quality. ~ Physical Properties Engineering Software has developed a new Windows based software package, Physical Properties, that quickly, easily and reliably calculates thermodynamic and transport properties of gaseous, liquid and solid species. This software package should prove to be a good tool for those who are involved at various levels with design, operation and management of power and propulsion systems. It should provide the user with the opportunity to more quickly, easily and effectively do his/her work, explore more options, save time and give more confidence in carrying out engineering calculations. ~ Steam Approximations Engineering Software has developed a new Windows based software package, Steam Approximations, that quickly, easily and reliably calculates thermodynamic and transport properties of steam for both saturated and superheated areas. This software package should prove to be a good tool for those who are involved at various levels with design, operation and management of energy conversion systems. It should provide the user with the opportunity to more quickly, easily and effectively do his/her work, explore more options, save time and give more confidence in carrying out engineering calculations. ~ Physical Properties and Steam Approximations Engineering Software has developed a new Windows based software package, Physical Properties and Steam Approximations, that quickly, easily and reliably calculates thermodynamic and transport properties of gaseous, liquid and solid species and steam approximations for both saturated and superheated areas. This software package should prove to be a good tool for those who are involved at various levels with design, operation and management of energy conversion systems. It should provide the user with the opportunity to more quickly, easily and effectively do his/her work, explore more options, save time and give more confidence in carrying out engineering calculations. ~ Physical Properties Spreadsheet Physical Properties Spreadsheet quickly, easily and reliably calculates thermodynamic and transport properties of a few gaseous, liquid and solid species. This spreadsheet should prove to be a good tool for those who are involved at various levels with design, operation and management of power and propulsion systems. It should provide you with the opportunity to more quickly, easily and effectively do your work, explore more options, save time and give more confidence in carrying out your calculations. ~ Economics ~ Cogeneration Economics This program calculates the the return on investment, present worth, and payback for a power plant that produces electrical power or produces both electrical power and heat energy. ~ Flash Tank Economics This program calculates the economic results that can be achieved by using a flash tank and a heat exchanger to recover boiler blowdown. The program calculates the amount of flash steam and saturated condensate that will separate when a high pressure, high temperature water steam is flashed in a tank of lower pressure. It then assigns a dollar value to each of the two components based on the value of fuel, boiler efficiency, etc. ~ Insulation Economics This program calculates the heat loss and surface temperature of an insulated pipe of specified diameter and internal temperature. It then calculates the present worth cost, $/foot, to own and operate each insulated system. This allows the user to select the optimum insulation thickness for each pipe based either on the cost of the insulation and heat loss or on the maximum acceptable surface temperature. Four types of insulation are supported. Pipe sizes through 36" are included. Three layers of insulation are supported ranging in thickness from 0 to 10". |
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