HSC Chemistry Chemical Reaction and Equilibrium Software

HSC Chemistry is the world's favorite thermochemical software. HSC is designed for various kinds of chemical reactions and equilibria calculations.

HSC Chemistry offers a quick and easy way to solve chemical reaction problems on your personal computer. HSC has a wide range of application possibilities in industry, research and education. All calculations utilize automatically integrated thermochemical database that includes more than 17000 compounds. See the full species list pdf version (2703Kb) or zipped pdf version (622Kb)

Whats new in version 5.0. If you have an older version, check out the changes.

The current version contains fourteen calculation modules displayed as fourteen options in the HSC main menu:

Databases

	Synapse chemical databases Electronic databases for the chemical industry. A whole range of information for the Industrial chemist, for example the Industrial Chemical Thesaurus serves as the most comprehensive source for linking trade name chemicals to generic chemicals and manufacturers. This resource contains over 75,000 trade name chemicals linked to more than 16,000 chemicals.
	Labcollector - Complete Laboratory Management LABCOLLECTOR is the first collaborative Intranet software for the management of molecular biology lab information (LIMS - Lab Information Management Solution). It is composed of 12 integrated modules: Strains, Plasmids, Primers, Sequences, Reagents & Chemicals, Samples, Antibodies, Animals, Chemical Structures, Equipment, Address Book and documents.
	HSC Chemistry - Chemical Reaction and Equilibrium modelling HSC Chemistry is the world's favorite thermochemical software. HSC Chemistry offers a quick and easy way to solve chemical reaction problems on your personal computer. HSC has a wide range of application possibilities in industry, research and education. All calculations utilize automatically integrated thermochemical database that includes more than 17000 compounds.

Chemical Equation Expert 2.00

Chemical Equation Expert is an integrated tool for chemistry professionals and students to solve chemical equation problems. It provides several powerful functions you have dreamed for long:1.Balances chemical equations quickly. An equation as complicated as: 119H2+18Ca(CN)2+6NaAlF4+12FeSO4+6MgSiO3+6KI+2H3PO4+12PbCrO4+24BrCl+6CF2Cl2+24SO2 = 12PbBr2+12CrCl3+6MgCO3+6KAl(OH)4+12Fe(SCN)3+2PI3+6NaSiO3+18CaF2+110H2O can be balanced in no time! So, balancing chemical equations will not be your nightmare but a piece of cake from now on.2.A build-in equation search engine lets you find an equation or make a summary of a certain type of reactions easily.3.Calculates the mass mole of the compounds of a selected equation automatically. Uses the Stoico-metric coefficients, reaction consumption to calculate the amounts/masses of compounds.

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Physical Properties and Steam Tables

Physical Properties and Steam Tables
TriMaxTM
Tri MAXTM 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 MAXTM 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 MicrosoftTM Platforms.
zCalc
zCalc is a 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
Quickly, easily and reliably calculates thermodynamic and transport properties of gaseous, liquid and solid species.
Steam Approximations
quickly, easily and reliably calculates thermodynamic and transport properties of steam for both saturated and superheated areas.
Physical Properties and Steam Approximations
Quickly, easily and reliably calculates thermodynamic and transport properties of gaseous, liquid and solid species and steam approximations for both saturated and superheated areas.

Spreadsheets for Plant Design

ChemEngSoftware develops spreadsheet templates for use in designing chemical and pharmaceutical manufacturing facilities.

PipeSize is a comprehensive, user-friendly, template for sizing pipes. It does a super job at very low cost. Use the physical properties and pipe material sizes provided with PipeSize, or add your own.

TankJkt predicts heat transfer in jacketed vessels and tanks. Choose from half-pipe, conventional, and dimple jacket styles. Internal coils also supported. All kinds of agitators. And, physical properties are included for more than 100 jacket fluids.

TankVolume calculates the filled volume of vertical and horizontal vessels at any fill level. The tank heads may be flat, elliptical, spherical, torispherical (F&D), conical or guppy (horizontal tanks only). All head dimensions are user defined. The vessel shells may be circular or elliptical. A datasheet is automatically prepared that includes a graph of fill level vs. volume.

VentManifold calculates the pressure profile in a vent or flare manifold system. Make sure your relief valves aren't handicapped by an inadequate manifold system! NFPA-30 requires the assumption that all vessels within a single fire zone relieve simultaneously. VentManifold is the tool you need to model simultaneously relieving tanks.

The free Pump Datasheet template does simple calculations to complete a centrifugal pump datasheet. It uses American (English) units only, but you could easily modify it for your own units and design. Requires Excel 97 or 2000. Download Pump Datasheet now.

Inquire by email about other templates: VOC Condenser, Elastic Center Pipe Stress Method, Emergency Vent Calculation.

We will solve your plant design problems for a fee. Please write with a short description of your problem. Include your telephone number and suggest times you can talk and we will call you to discuss the particulars. Or request a written response.

Our work envelops a 20-year period. It began with an Apple ][+, Applesoft Basic and Assembly Language. By 1989 we were marketing spreadsheet templates for Lotus and Excel. Current work is focused on Excel 97.

Heat Exchanger Calculation

Typical U - values

Typical Overall Heat Transfer coefficients (U) for Heat Exchangers.
This is a tabulation that can be used as an initial value for the Tentative Sizing online thermal calculator.
Link to information Information in New Window

Fouling

Description of fouling mechanisms. Tips for decreasing the buildup and cleaning the surface are provided.
Link to information Information in New Window

Typical Fouling Factors

Tabulation of Fouling Factors for several fluids and applications.
Link to information Information in New Window

Fluid Allocation

The allocation of the fluids on the shell or tube side is a decision that can have a significant impact on the performance, economics and maintainability of a heat exchanger. Some general guidelines and considerations are provided on this page.
Link to information Information in New Window

Standard Tubesizes

Tabulation of the standard US tube sizes, BWG and wall thicknesses.
Link to information Information in New Window

Recommended Tube Layout Pitch

Tabulation of the standard US tube sizes and the recommended pitch.
Link to information Information in New Window

TEMA Designation

An overview of the TEMA designation describing type of Heat Exchangers.
Link to information Information in New Window

Plant Design Part 4: Pressure Vessel

Processing, Storage Tanks, Pressure Vessels, Mixing Systems
Cerebro Mix
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.
Cerebro PV
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.
Cerebro Tank
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.

Plant Design Part 3: Heat Transfer Part 2

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.

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.

Plant Design Part 3: Heat Transfer

Heat Transfer
PHEdesign (Plate Heat Exchangers)
PHEdesign 1.0 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
Vesselpak
Vesselpak is the industry-standard for the analysis of heat transfer in process vessels and fermenters. The software allows complete specification by the user of vessel and jacket liquids, full dimensional information on vessel, jacket and internal coil, agitator details. The user can choose from a range of jacket types including conventional, agitated conventional, half-pipe coil, baffled conventional, dimple jacket. Output includes full details of heat transfer coefficients, heat transfer rates versus time and agitator absorbed power. Printed and graphical output are available.
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.

Plant Design Part 2: Physical Properties and Steam Tables 2

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

Quickly, easily and reliably calculates thermodynamic and transport properties of gaseous, liquid and solid species.

Steam Approximations

quickly, easily and reliably calculates thermodynamic and transport properties of steam for both saturated and superheated areas.

Physical Properties and Steam Approximations

Quickly, easily and reliably calculates thermodynamic and transport properties of gaseous, liquid and solid species and steam approximations for both saturated and superheated areas.

Plant Design Part 2: Physical Properties and Steam Tables 1

Physical Properties and Steam Tables
TriMaxTM
Tri MAXTM 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 MAXTM 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 MicrosoftTM Platforms.
zCalc
zCalc is a 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.

Plant Design Part 1: Economics

Economics
Cogeneration economics
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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Chemical Software Part 2: Pumps

Calculations

Pump Conditions

Pump Conditions and recommendation.
Calculation of the conditions for a pump and a recommendation of the type of pump that is suitable for these conditions. Includes analysis of the full in- and outlet piping and provides useful tips for design improvements.
Link to Calculation Form Calculation Form in New Window Info about calculation Info in New Window

Centrifugal Pump

Centrifugal Pump calculation.
Designs a pump based on hydraulic calculations and presents results. The hydraulic calculations are very representative for actual pumps; include sophisticated methods to assess the number of stages, suction conditions (NPSH), power consumption etc. The calculations provide reliable preliminary data about the pump that can be used during studies, basic engineering or as an independent benchmark for bid evaluations.
Link to Calculation Form Calculation Form in New Window Info about calculation Info in New Window

Viscosity Corrections

Centrifugal Pump Viscosity Corrections according to Graphs published by Hydraulic Institute Standards.
Link to Calculation Form Calculation Form in New Window Info about calculation Info in New Window

Chemical Software Part 2: Line Sizing

Calculations

Process Fluid

Line Sizing for Process Fluid.
You can either input a maximum velocity or select a process fluid from a menu.
Link to Calculation Form Calculation Form in New Window

Utility

Line Sizing for Utility.
You can either input a maximum velocity or select a utility from a menu.
Link to Calculation Form Calculation Form in New Window

Density based

Simpson's method
Simpson developed a correlation for the maximum allowable velocity based on the density of the medium.
You can either input a maximum velocity or use Simpson's method.
Link to Calculation Form Calculation Form in New Window

Equipment Line related

Line Sizing for lines connected to equipment.
You can either input a maximum velocity or select a piece of equipment from the menu, in the latter case a usual velocity for such equipment will be used.
Link to Calculation Form Calculation Form in New Window

Economic optimization

Line Sizing using economical optimum diameter.
You can either input a maximum velocity or use an ecomomical optimization formula.
Link to Calculation Form Calculation Form in New Window

Chemical Software Part 2: Pressure Drop

Calculations

Straight Pipe

Calculators for pressure drop by flow through a straight pipe.
The diameter and wall roughness can be user defined or chosen from a listing of standard pipe sizes.
Link to Calculation Form Calculation Form in New Window

Pipe with Fittings

Calculators for pressure drop by flow through a pipe with fittings.
The number of fittings can be put in manually or estimated by the calculation routine using a correlation based on complexity and average plant data. Uses the 2-k methode for the pressure drop through the fittings, which is the best available method for both the laminar and turbulent flow.
Link to Calculation Form Calculation Form in New Window

Chemical Software Part 2: Heat Exchanger 2

Typical U - values

Typical Overall Heat Transfer coefficients (U) for Heat Exchangers.
This is a tabulation that can be used as an initial value for the Tentative Sizing online thermal calculator.
Link to information Information in New Window

Fouling

Description of fouling mechanisms. Tips for decreasing the buildup and cleaning the surface are provided.
Link to information Information in New Window

Typical Fouling Factors

Tabulation of Fouling Factors for several fluids and applications.
Link to information Information in New Window

Fluid Allocation

The allocation of the fluids on the shell or tube side is a decision that can have a significant impact on the performance, economics and maintainability of a heat exchanger. Some general guidelines and considerations are provided on this page.
Link to information Information in New Window

Standard Tubesizes

Tabulation of the standard US tube sizes, BWG and wall thicknesses.
Link to information Information in New Window

Recommended Tube Layout Pitch

Tabulation of the standard US tube sizes and the recommended pitch.
Link to information Information in New Window

TEMA Designation

An overview of the TEMA designation describing type of Heat Exchangers.
Link to information Information in New Window

Chemical Software Part 2: Heat Exchanger 1

Calculations

Tentative Sizing

Online thermal calculator for tentative sizing.
Evaluate the number of shells to be used in series and a tentative heat exchange area needed for the specified duty. This is a starting point to use in the iterative Thermal Rating calculations.
Link to Calculation Form Calculation Form in New Window

Thermal Rating

Thermal Rating for a Shell and Tube Heat Exchanger.
Online calculators to perform iterative thermal rating calculations for shell and tube heat exchangers. The calculators are quite sophisticated and, although they have been made user friendly, require sufficient knowledge of Heat Exchangers. Will save you an incredible amount of calculation work.
Link to Calculation Form Calculation Form in New Window

Heat Transfer Coefficient Inside a Tube

Calculation for the inside heat transfer coefficient for a tube.
Performs online calculation for the heat transfer coefficient inside the tube and the pressure drop. To get both is convenient to obtain a compromise between the heat transfer and pressure drop.
Link to Calculation Form Calculation Form in New Window

Chemical Software Part 1: Kinetics Database

This page from NIST.GOV

Chemical Kinetics Database on the Web

Standard Reference Database 17, Version 7.0 (Web Version), Release 1.3

A compilation of kinetics data on gas-phase reactions

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Reaction Database Quick Search Form

Enter the reactant(s) and/or product(s) in the fields below. Fields may be left blank.

See full page from kinetics.nist.gov

Compressibility Calculator

Compressibility and Ideal Gas Approximations

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This form submits information to an interactive model which calculates compressibility and pressure based on several factors. Graphs will be generated for several different temperatures, each graph showing the pressure and compressibility over a range of volumes. Input the temperatures separated by a space or comma at which you want to calculate these graphs. Up to 10 temperatures may be entered. These temperatures are proportions of the critical temperature, which is a factor in the compressibility. The critical temperature depends on the gas, but is usually low. At critical temperature, pressure, and volume, the gas changes phase.

Compressibility expresses how much a gas is behaving like an ideal gas under any conditions. If the compressibility equals one, then the gas is behaving exactly like an ideal gas. If the compressibility deviates much from one, then the ideal gas equation will not accurately model the real gas under those conditions. This script uses the Beattie-Bridgeman equation to calculate the behavior of the gas, even when not acting ideally.

Compressibility Calculator

Enthalpy and Gibbs Free Energy Calculator

Introduction : the purpose of this calculator is to calculate the value of the enthalphy of a reaction (delta H) or the Gibbs free energy of a reaction (delta G). The form below provides you with blanks to enter the individual enthalpies or free energy d ata points for a given reaction. Once entered, simply click on the "Evaluate" button to compute the appropriate value.

Note: if you do not have a second or third reactant or product, simply enter the value of "0" in the form.

The form below calculates the reaction enthalphy for:

NO₃ + H₂O -----> HNO₃ + OH

Keep in mind the following rules:

Enthalphy Change	Spontaneous Reaction?
Exothermic (dH <>	Yes, dG <>
Exothermic (dH <>	If |T dS| < |dH|
Endothermic (dH > 0)	If T dS > dH
Endothermic (dH > 0)	No, dG > 0

Thermodynamics Calculator

Thermodynamics Calculator

Enthalpy and Gibbs Free Energy Calculator

Introduction : the purpose of this calculator is to calculate the value of the enthalphy of a reaction (delta H) or the Gibbs free energy of a reaction (delta G). The form below provides you with blanks to enter the individual enthalpies or free energy d ata points for a given reaction. Once entered, simply click on the "Evaluate" button to compute the appropriate value.

Note: if you do not have a second or third reactant or product, simply enter the value of "0" in the form.

The form below calculates the reaction enthalphy for:

NO₃ + H₂O -----> HNO₃ + OH

Keep in mind the following rules:

Enthalphy Change	Spontaneous Reaction?
Exothermic (dH <>	Yes, dG <>
Exothermic (dH <>	If |T dS| < |dH|
Endothermic (dH > 0)	If T dS > dH
Endothermic (dH > 0)	No, dG > 0

Thermodynamics Calculator

Redox Calculator

Redox Reactions Calculator

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Calculate the electrode potential for a half-reaction, with inputs being the concentrations and stoichiometric coefficients of the reactants and products, and the number of electrons transferred:

Redox Calculator

Arrhenius Evaluation

The Arrhenius Equation

Background reading:

Common sense and chemical intuition suggest that the higher the temperature, the faster a given chemical reaction will proceed. Quantitatively this relationship between the rate a reaction proceeds and its temperature is determined by the Arrhenius Equation. At higher temperatures, the probability that two molecules will collide is higher. This higher collision rate results in a higher kinetic energy, which has an effect on the activation energy of the reaction. The activation energy is the amount of energy required to ensure that a reaction happens.

This calculator calculates the effect of temperature on reaction rates using the Arrhenius equation.

k=A*exp^(-E_a/R*T) where k is the rate coefficient, A is a constant, E_a is the activation energy, R is the universal gas constant, and T is the temperature (in degrees Kelvin).

R has the value of 8.314 x 10^-3 kJ mol^-1K^-1

You should use this calculator to investigate the influence of temperature on the rate coefficient.

This calculator allows you to perform three different calculations:

• Calculate A given k, E_a, and T
• Calculate k given A, E_a, and T
• Calculate E_a given A, k, and T

Chemical Calculator

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Online Calculator Part 2

FreeCalc.com

A ton of online calculator covering: general engineering, liquid and gas flow, HVAC, pumps, heat transfer, vessels and tanks, valves and piping, and separation equipment. Calculators are thorough, referenced, and illustrated. Many more online calculator are in development.

Fired Heater Design

This online calculator not only performs the calculations for you, but helps you gain a better understanding of the design procedure at the same time. Design and learn about nearly every aspect of a fired heater at this great website.

Jehar Associates Online

You've seen Jehar Associates offer visitors to the Resource Page software discounts, but now you can tap in their experience and expertise from the internet. This site contains too many calculators to mention, but here are just a few: variety of fluid flow calculators, pyschrometric calculator, tubes in a shell and tube exchanger, heat loss from an insulated pipe, acid dewpoint of flue gas, and many more! This site is certainly a bookmark!

Thermal Calculators

The Thermal Wizard from MAYA heat transfer includes unit conversions, material properties, conduction, convection, radiation, and head loss calculations.

Process Associates

You'll be sure to find something you can use here! How about fluid flow and hydraulics, heat transfer, physical properties, and rotating equipment. Not enough? How about tools to help you calculation optimum sizes for separation equipment and process vessels!

Steam Table

Find those handy little steam table online. No more reaching for you old reference books and no more interpolating.

Online Calculator Part 1

Efunda

This online site provides some calculators that may be of interest to chemical engineers. Calculators include unit conversions, gage calculator, hardness approximation, Reynolds number, pipe friction, and venturi flowmeter.

Industrial Filtration Calculators

Need help selecting equipment for an industrial filtration? How about some help with a sedimentation velocity calculation? This site contains online calculators to help with these tasks. Also included is a tool to estimate the specific resistance to filtration from a particle size distribution provided by the user.

Equipment Costing

Online equipment cost estimating from Matches. This Java powered online calculator provides cost estimates for a wide variety of process equipment. The correlations are not discussed, so judging the accuracy is difficult. Costs are expressed in year 2000 U.S. dollars.

LMNO Engineering

Online calculators including hydraulics of open channels, tank discharges, pipe friction factors and head losses, and groundwater calculations. Some calculations are free while other require a $20 registration fee.

McCabe-Thiele Calculator

Calculate the number of theoretical trays needed for your distillation column via the McCabe-Thiele method.

PH Calculator

Many links to pH calculator

VBScript pH Calculator

pH Calculator. ... pH Calculator. pH:. Acid or Base:. hydrochloric acid, nitric acid, potassium hydroxide, sodium hydroxide, sulfuric acid ...

pH Calculator : Support - Technical Education :: SensorexpH Calculator - This tool allows you to calculate the pH of a solution of known concentration. You can calculate the pH based on concentration, volume, ...
pH Calculations

This page is a drill and practice exercise in basic pH calculations. When you press "New Problem" a value will appear in one of the windows. ...

pHPocket calculators convert concentration to pH merely by entering the concentration, invoking the logarithm (base 10) function, and changing the sign. ...

pH Calculator Calculation SolutionpH calculator calculation software. Download. ... Example 1:Use pH Calculator to calculate pH and H3O+-conc. in a 0.1M solution of acetic acid(Ka=1.75E-5). ...

New Software Links Part 2

• Web based Calculators
• Sheffield ChemPuter Isotope Patterns calculator
• MolE - Molecular Mass Calculator, University of Utah
• Elemental Composition Calculator University of Utah
• ChemCalc calculates the molecular formula, molecular mass, exact mass, elemental analysis and plots the isotopic distribution graph.
• Isotopic distribution by Scientific Instrument Services
• Molecular Mass Calculation at chemie.de
• RasMol is a free program which displays molecular structure
• Chime is the web based brother of rasmol
• Umetrics: Modde, Simca. Nice demo-versions! (experimental design and multivariate data analysis and modeling)
• MultiSimplex: MultiSimplex: a Windows-based software for experimental design and optimization. Free demo!
• vibrationdata.com Not straight chemistry but lot of useful scientific software. The software and tutorials require a username and password. The subscription cost is $24.00
• Infometrix Pirouette a chemometrics modeling software for Windows $4000
• ChemWindow and some free ware
• ChemKey Organic Synthetic Method Computer Database $325
• CompuChem ChemTools and evaluation and demo versions after registration. (No prices)
• Acorn NMR Inc.: Nuts, post-processing of NMR data, shareware
• ChemInnovation Chemistry 4-D Draw, free demo
• SPOT Chemie, Naturwissenschaftliche und technische Software zum Download (übersichtlich, supergut)
• Software links (englisch and german via searchform @chemie.de)
• Software Reviews from the CTI Centre for Chemistry. No download!

New Software Links

Software

• Agilent Technologies (former Hewlett Packard) Chemical Analysis User Contributed Software:
• Capillary Column Method Translator for Win95/ NT mt2aaset.zip 2,9MB (mirror)
• GC Pressure/Flow Calculator for Win95/ NT flow205.exe self-extracting file 0,7MB (mirror)
• HighChem Information Systems for MS
• easy structure drawing tool for Win95/ NT Structure_Editor.exe 1,2MB (mirror)
• ACD/Labs Products with good freeware including ChemSketch
• MASP - Predicting Mass Spectra of Combinatorial Libraries
• Molecular Weight Calculator download and explanation from Matthew Monroe
• MolMass is a java applet which calculates all possible molecule masses on the basis the isotopes of the constituent atoms.
• Isotope Simulators for Windows MS/MS Software (freeware) program was created at Cornell University
• Chempute demonstration download page, chemical engineering ...Prepare to fill out a registration form
• MDL download ISIS draw and Chime for free.

Software Part 4

CO₂ Corrosion
Estimation of corrosion rate on pipelines. Program for Excel developed by Norwegian Technology Standards Institution. CO2Corrosion.zip
257 KB

Rayleigh.zip
Batch Distillation using Rayleigh equation to determine still pot and average distillate composition over time for constant boilup rate D and constant equilibrium ratio K. By Dr. Bernhard Spang About.com. Rayleigh1.zip 17 KB

PDE
Partial Differential Equations in Chemical Engineering (heat distribution in a cylinder. For Mathematica. By Michale Monine. Web page. Pde.zip 510 KB

Links to archives in the WWW

TALLER DE HERRAMIENTAS DE CÁLCULO EN INGENIERIA DE ALIMENTOS
Several programs in spanish (more than 100 applications) about food engineering. Great collection.

Free Book about Food Rheology.

At the web page of Dr. James F. Steffe you can download free his book Rheological Methods in Food Process Engineering. The file extension is pdf, so you need the Adobe Acrobat Reader installed in your computer; you can download it (also free) from the Adobe Site. 1.335 KB

Free Book of Biochemical Engineering

You can download this book from Dr. James M. Lee web page. Acrobat Reader is also required. Total size of files to download is near to 3 MB.

Free Heat Transfer Textbook.

A Heat Transfer TextBook for free, download it from his author web page, (his author is Dr. John H. Lienhard V). Acrobat Reader is necessary. Size 6.690 KB

Prediction of Liquid-Vapor Equilibrium

In the web page of Chemical Engineer Jesús González you can download his software for prediction of liquid-vapor equilibrium, distribuited in six diskettes (more than 8 MB).

Chemcalc 2.0

Chemcalc 2.0
The purpose of this program is to provide a chemist working at his bench or desk, with a single, simple package which will help him with his most common, everyday computations. MS-DOS. Developed by Paul Haberfield. Chemcal2.zip 76KB

Gepasi 3.1
Gepasi is a Microsoft Windows program intended for the simulation of the kinetics of systems of chemical and biochemical reactions. Developed by Pedro Mendes, University of Wales. Windows 95 or above. Web Page. Gepasi.zip. 2.347 KB

Propiedades Psicrométricas.
Psychrometric properties of moist air based on methods by R. Hemp for use in mines. Excel Spreadsheet. Prop_psicrometricas.zip 5KB

PMTHERM
Psychometric Calculations. For Windows 95 or latest versions, written by Paul Milligan and Andy Schoen. Pmtherm.zip 373 KB

Water 97 V. 1.2
Excel Add-In for properties of water and stream. Developed by Bernhard Spang, from About.com. Water97_V12.zip 52 KB

WinPipeD V.1.0
WinPipeD is designed to carry out all the standard calculations required in designing multiphase pipe systems. Windows 3.x or above. Developed by Neosoft. Email. Wpip100b.zip 353 KB

PVAPWIN 1.01
Estimation of vapor pressures using several equations of state. Written by Ariel Kempf, for Windows 3.x or higher. Web Page. Pvapwin.zip 363 KB

Funciones 2.7.60
Graphical representation of mathematical functions, for Windows 3.x or latest versions. In Spanish. A program from Jordi Lagares Roset. Visit his web page. Fuwi260e.zip 528 KB

Pipeflow 2.0
Pressure drop and friction factor estimation. Excel sreadsheet. From R. C. Costello & Assoc. Inc., (310) 792-5870. Pipeflow.zip 22 KB

Agita
Static Simulator of an Agitator. MS-DOS. No information about the author. Agita.zip 82 KB

BME
An example of resolution of mass and energy balances using Excel. Written by Wellington Pereria Santos. Portuguese. Bme.zip 1866 KB

Co-Solve-It!
Solubility parameters and properties of resins and solvents. MS-DOS. Registration seems to be free. Developed by Michael Law. Cosolvit.zip 4,30 MB

Flash Calculation
Multicomponent Flash Calculation Excel Spreadsheet. Written by Bernhard Spang. Web site at about.com. Destiflash.zip 20 KB

VPMixtures
Vapor pressure of a liquid solution. Excel spreadsheet from Christopher Haslego, author of the Chemical Engineer's resource page pvapmezclas.zip 477 KB

Density_Sat
Density of saturated liquids and vapors using Gaunn & Yamada's correlation. Excel Spreadsheet. A program from Bernhard Spang's web site in about.com. Density_sat.zip 79 KB

Thermeff.zip

Free efficiency calculator excel spreadsheet for gas combustion. Developed by Heatflux. Thermeff.zip 377 KB

Uconeer 1.3
Freeware units conversion for engineers. Windows 95 or later. A program from por Katmar Software. Uconeer.zip 491 KB

XtXtrFun
Curve Fit, Splines and Interpolation with Microsoft Excel. Registration is free, only send your e-mail address to jdavita@netrax.net XtXtrFun.zip 381 KB

Software Part 2

EngiWare Software

All these programs are free, but you must register at EngiWare web page. Of course, registration is also free. There are four programs:

Engi_Hex v. 1.2. Heat exchangers monitoring. For Windows. Enghex12.001 Enghex12.002, Enghex12.bat 740 KB

Engi_H20 v. 1.5. Steam properties. Engi_h2o15.zip 154 KB

Engi_Cal v. 1.4. Programmable calculator. Run under Windows. Engi_cal15.zip. 1,22 MB

Engi_SI v. 1.7. Units conversion. 300 predefined units. Customer can also add more units. Engi_SI17.zip. 346 KB

IngAjad V.1.0

Databank with properties of 700 carbon compounds. In Spanish. Developed by Alfredo Arredondo. For Windows. Ingajad.zip. 4,99 MB

Excalibur 32-bit v.1.05.

Calculator developed by David Bernazzani. Scientific functions, business, geometry, conversion, complex numbers. Programmable. For Windows. And freeware. Ex32_105.001, Ex32_105.002, Ex32_105.bat. 810 KB.

Mechanical Properties of Pipes

Excel databank of mechanical properties of pipes. (Spanish) Developed by José M. Perdiz Dávila.

Propmectub.zip 40 KB

Filtration
Several Excel spreadsheets created by Richard Holdich as complementation of his book about filtration.
Filtration.001, filtration.002, filtration.bat 963 KB

Insulation
Another program of Christopher Haslego, author of The Chemical Engineering Resources Web Page. This is a Excel spreadsheet for insulation of pipes calculations. Insulation.001, insulation.002, insulation.bat 671 KB

HVAcalc
A DOS application of Steve Spinks for psychometrics calculations and wind pressure. Hvacalc.zip10 KB

Mol Weight Calculator
Quick calculus of molecular weights. Developed by Taftan Data. For Windows. Molwt.zip. 77 KB

Pipe Size Optimization
Also from Chris Haslego, Excel spreadsheet to optimise pipe size. Pipes.zip 14 KB

LiqVis
DOS program for estimation of liquids viscosity. From Pacific Engineering Publishing, PO Box 1811 Orinda, Ca 94563. Liqvis.zip 38 KB

Chemtools for Windows 95/NT
Several applications of general chemistry, developed by Ilmari Krebs from Universität Tübingen. Chemicaltools.001, chemicaltools.002, chemicaltools.bat 671 KB

Water
Steam and liquid water properties. For Windows. Developed by NCSU. Water.zip 11 KB

Bvle
Another excel spreadsheet from Chris Haslego, for validation of binary vapour-liquid equilibrium data. bvle.zip 8 KB

Reactor Lab
Simulation of chemical reactors. Developed by Richard K. Herz, Chem. Eng. Program. Dept. of Mechanical & Aerospace Eng. University of California. Reactorsimulación.zip 1,87 MB

Peng-Robinson Equation
Properties estimation using Peng-Robinson equation of state, pure fluids. By Stanley I. Sandler, from Delaware university, Newark. Peng-Robinson.zip
1530 KB

Compressible Flow Estimator

A simple utility program that estimates the error that results when using incompressible pipe flow calculation methods on compressible gas flow systems. Windows 95 or higher. Developed by Applied Flow Technology, 400 W. Hwy 24, Suite #201, P.O.Box 6358, Woodland Park, CO. 80866-6358, Phone (719)686-1000, FAX (719)686-1001. CFE.zip 1,73 MB