Chemistry: New Applications
https://www.maplesoft.com/applications/category.aspx?cid=188
en-us2022 Maplesoft, A Division of Waterloo Maple Inc.Maplesoft Document SystemThu, 27 Jan 2022 14:49:15 GMTThu, 27 Jan 2022 14:49:15 GMTNew applications in the Chemistry categoryhttps://www.maplesoft.com/images/Application_center_hp.jpgChemistry: New Applications
https://www.maplesoft.com/applications/category.aspx?cid=188
Mathematics for Chemistry
https://www.maplesoft.com/applications/view.aspx?SID=154267&ref=Feed
This interactive electronic textbook in the form of Maple worksheets comprises two parts.
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Part I, Mathematics for Chemistry, is supposed to cover all mathematics that an instructor of chemistry might hope and expect that his students would learn, understand and be able to apply as a result of sufficient courses typically, but not exclusively, presented in departments of mathematics. Its nine chapters include (0) a summary and illustration of useful Maple commands, (1) arithmetic, algebra and elementary functions, (2) plotting, descriptive geometry, trigonometry, series, complex functions, (3) differential calculus of one variable, (4) integral calculus of one variable, (5) multivariate calculus, (6) linear algebra including matrix, vector, eigenvector, vector calculus, tensor, spreadsheet, (7) differential and integral equations, and (8) probability, distribution, treatment of laboratory data, linear and non-linear regression and optimization.
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Part II presents mathematical topics typically taught within chemistry courses, including (9) chemical equilibrium, (10) group theory, (11) graph theory, (12a,b,c) introduction to quantum mechanics and quantum chemistry, (13) optical molecular spectrometry, (14) applications of Fourier transforms in chemistry including electron diffraction, x-ray diffraction, microwave spectra, infrared and Raman spectra and nuclear-magnetic-resonance spectra, (15) advanced chemical kinetics, and (16) dielectric and magnetic properties of chemical matter.
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Also included in this collection are an essay on Teaching Mathematics to Chemistry Students with Symbolic Computation and a periodic chart of the chemical elements incorporating various
data on elemental properties.
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Edition 6.
Last updated Aug. 15, 2021.<img src="https://www.maplesoft.com/view.aspx?si=154267/molecule.PNG" alt="Mathematics for Chemistry" style="max-width: 25%;" align="left"/>This interactive electronic textbook in the form of Maple worksheets comprises two parts.
<br><br>
Part I, Mathematics for Chemistry, is supposed to cover all mathematics that an instructor of chemistry might hope and expect that his students would learn, understand and be able to apply as a result of sufficient courses typically, but not exclusively, presented in departments of mathematics. Its nine chapters include (0) a summary and illustration of useful Maple commands, (1) arithmetic, algebra and elementary functions, (2) plotting, descriptive geometry, trigonometry, series, complex functions, (3) differential calculus of one variable, (4) integral calculus of one variable, (5) multivariate calculus, (6) linear algebra including matrix, vector, eigenvector, vector calculus, tensor, spreadsheet, (7) differential and integral equations, and (8) probability, distribution, treatment of laboratory data, linear and non-linear regression and optimization.
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Part II presents mathematical topics typically taught within chemistry courses, including (9) chemical equilibrium, (10) group theory, (11) graph theory, (12a,b,c) introduction to quantum mechanics and quantum chemistry, (13) optical molecular spectrometry, (14) applications of Fourier transforms in chemistry including electron diffraction, x-ray diffraction, microwave spectra, infrared and Raman spectra and nuclear-magnetic-resonance spectra, (15) advanced chemical kinetics, and (16) dielectric and magnetic properties of chemical matter.
<br><br>
Also included in this collection are an essay on Teaching Mathematics to Chemistry Students with Symbolic Computation and a periodic chart of the chemical elements incorporating various
data on elemental properties.
<br><br>
Edition 6.
Last updated Aug. 15, 2021.https://www.maplesoft.com/applications/view.aspx?SID=154267&ref=FeedThu, 19 Aug 2021 14:22:04 ZJohn OgilvieJohn OgilvieQuantum Mechanics for Chemistry
https://www.maplesoft.com/applications/view.aspx?SID=154768&ref=Feed
This interactive electronic textbook is designed to provide a comprehensive introduction to quantum mechanics in a context of chemistry. This book comprises three extensive chapters, treating model systems, atoms and molecules in turn, applying symbolic calculations with computer program Maple.<img src="https://www.maplesoft.com/view.aspx?si=154768/quantummechimage.png" alt="Quantum Mechanics for Chemistry" style="max-width: 25%;" align="left"/>This interactive electronic textbook is designed to provide a comprehensive introduction to quantum mechanics in a context of chemistry. This book comprises three extensive chapters, treating model systems, atoms and molecules in turn, applying symbolic calculations with computer program Maple.https://www.maplesoft.com/applications/view.aspx?SID=154768&ref=FeedWed, 28 Jul 2021 19:22:19 ZJohn OgilvieJohn OgilvieBohmian Mechanics
https://www.maplesoft.com/applications/view.aspx?SID=154752&ref=Feed
Bohmian Mechanics offers a novel view of the quantum world by preserving the definite nature of particles. These quantum particles trace out beautiful trajectories that can offer insights into what is normally a murky and probabilistic interpretation of quantum processes. This worksheet strives to introduce the basics of Bohmian theory, to work through some simple analytical examples, and to walk the reader through a numerical calculation of time dependent quantum mechanics. This worksheet uses the Maple Quantum Chemistry Toolbox.<img src="https://www.maplesoft.com/view.aspx?si=154752/Screen_Shot_2021-03-17_at_1.10.14_PM.png" alt="Bohmian Mechanics" style="max-width: 25%;" align="left"/>Bohmian Mechanics offers a novel view of the quantum world by preserving the definite nature of particles. These quantum particles trace out beautiful trajectories that can offer insights into what is normally a murky and probabilistic interpretation of quantum processes. This worksheet strives to introduce the basics of Bohmian theory, to work through some simple analytical examples, and to walk the reader through a numerical calculation of time dependent quantum mechanics. This worksheet uses the Maple Quantum Chemistry Toolbox.https://www.maplesoft.com/applications/view.aspx?SID=154752&ref=FeedWed, 17 Mar 2021 04:00:00 ZSamuel WarrenSamuel WarrenQuantum Optimal Control Theory - A Brief Introduction
https://www.maplesoft.com/applications/view.aspx?SID=154717&ref=Feed
This worksheet briefly introduces basic aspects of Quantum Optimal Control Theory, including notions of controllability and the selection of an appropriate cost functional. The worksheet illustrates these concepts by implementing a simple optimization algorithm for a model quantum system and objective.<img src="https://www.maplesoft.com/view.aspx?si=154717/psi-greek-letter.jpeg" alt="Quantum Optimal Control Theory - A Brief Introduction" style="max-width: 25%;" align="left"/>This worksheet briefly introduces basic aspects of Quantum Optimal Control Theory, including notions of controllability and the selection of an appropriate cost functional. The worksheet illustrates these concepts by implementing a simple optimization algorithm for a model quantum system and objective.https://www.maplesoft.com/applications/view.aspx?SID=154717&ref=FeedMon, 15 Mar 2021 04:00:00 ZJoel GardnerJoel GardnerFourier Transforms for Chemistry
https://www.maplesoft.com/applications/view.aspx?SID=154672&ref=Feed
This interactive electronic textbook, comprising an overview and six chapters, in the form of a worksheet for symbolic mathematics with Maple software presents an introduction to Fourier transformation and its applications in chemistry. After a concise outline of the principles of Fourier transformation and related topics, the treated applications include electron diffraction of a gaseous sample, xray diffraction of crystalline and powder samples, microwave spectra of a gaseous sample, mid-infrared and Raman spectra of a liquid sample and nuclear-magnetic-resonance spectra of liquid samples. In each application, simulations are generated to demonstrate the physical principles and practical applications to determine the molecular structure or structural aspects of exemplary substances.<img src="https://www.maplesoft.com/applications/images/app_image_blank_lg.jpg" alt="Fourier Transforms for Chemistry" style="max-width: 25%;" align="left"/>This interactive electronic textbook, comprising an overview and six chapters, in the form of a worksheet for symbolic mathematics with Maple software presents an introduction to Fourier transformation and its applications in chemistry. After a concise outline of the principles of Fourier transformation and related topics, the treated applications include electron diffraction of a gaseous sample, xray diffraction of crystalline and powder samples, microwave spectra of a gaseous sample, mid-infrared and Raman spectra of a liquid sample and nuclear-magnetic-resonance spectra of liquid samples. In each application, simulations are generated to demonstrate the physical principles and practical applications to determine the molecular structure or structural aspects of exemplary substances.https://www.maplesoft.com/applications/view.aspx?SID=154672&ref=FeedThu, 04 Feb 2021 05:00:00 ZJohn OgilvieJohn OgilvieLight, Chroma & Lamp Engineering Applications
https://www.maplesoft.com/applications/view.aspx?SID=154656&ref=Feed
Emulation of the spectral distributions of many non-LED popular lamps, allows for direct utility calculations based on many different parameters including chromaticity, space type, lifetime, occasion, application, cost and efficiency. 7 such parameters are used with constrained weight optimization to fish out some of the more popular lamp types used in many situations today. Will be modified some time later to deal with LEDs. Based on elemental spectral data published by NIST.<img src="https://www.maplesoft.com/view.aspx?si=154656/L14(1).jpg" alt="Light, Chroma & Lamp Engineering Applications" style="max-width: 25%;" align="left"/>Emulation of the spectral distributions of many non-LED popular lamps, allows for direct utility calculations based on many different parameters including chromaticity, space type, lifetime, occasion, application, cost and efficiency. 7 such parameters are used with constrained weight optimization to fish out some of the more popular lamp types used in many situations today. Will be modified some time later to deal with LEDs. Based on elemental spectral data published by NIST.https://www.maplesoft.com/applications/view.aspx?SID=154656&ref=FeedFri, 04 Dec 2020 05:00:00 ZYiannis GalidakisYiannis GalidakisVapor-Liquid Equilibrium of Benzene and Toluene
https://www.maplesoft.com/applications/view.aspx?SID=154649&ref=Feed
This application calculate the vapor-liquid equilibrium of a benzene-toluene mixture. Specifically, the application calculates the:
<UL>
<LI>temperature, given the composition of the liquid phase and pressure
<LI>dew point and composition of the liquid phase given composition of the vapor phase and pressure
</UL>
The application employs the empirical Antoine equation to calculate the vapor pressures of benzene and toluene. The parameters are sourced from the NIST Chemistry Webbook.
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The techniques used here can be applied to many other mixtures - you just need to find the right data for the Antoine equation.<img src="https://www.maplesoft.com/view.aspx?si=154649/thumb.png" alt="Vapor-Liquid Equilibrium of Benzene and Toluene" style="max-width: 25%;" align="left"/>This application calculate the vapor-liquid equilibrium of a benzene-toluene mixture. Specifically, the application calculates the:
<UL>
<LI>temperature, given the composition of the liquid phase and pressure
<LI>dew point and composition of the liquid phase given composition of the vapor phase and pressure
</UL>
The application employs the empirical Antoine equation to calculate the vapor pressures of benzene and toluene. The parameters are sourced from the NIST Chemistry Webbook.
<BR><BR>
The techniques used here can be applied to many other mixtures - you just need to find the right data for the Antoine equation.https://www.maplesoft.com/applications/view.aspx?SID=154649&ref=FeedTue, 30 Jun 2020 04:00:00 ZSamir KhanSamir KhanSpeed of Sound in Various Fluids
https://www.maplesoft.com/applications/view.aspx?SID=154641&ref=Feed
This application computes and tabulates the speed of sound in various fluids at standard temperature and pressure, as provided by the ThermophysicalData package (which uses the open-source CoolProp project for fluid properties).
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The list of fluids include water, ethanol, air, ammonia and several others. However, you can use any of the fluids in the ThermophysicalData package (this help page contains a list of available fluids).
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This application also demonstrates the use of the DocumentTools package for tabulating and formatting results.<img src="https://www.maplesoft.com/view.aspx?si=154641/thumb.png" alt="Speed of Sound in Various Fluids" style="max-width: 25%;" align="left"/>This application computes and tabulates the speed of sound in various fluids at standard temperature and pressure, as provided by the ThermophysicalData package (which uses the open-source CoolProp project for fluid properties).
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The list of fluids include water, ethanol, air, ammonia and several others. However, you can use any of the fluids in the ThermophysicalData package (this help page contains a list of available fluids).
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This application also demonstrates the use of the DocumentTools package for tabulating and formatting results.https://www.maplesoft.com/applications/view.aspx?SID=154641&ref=FeedFri, 08 May 2020 04:00:00 ZSamir KhanSamir KhanFinding the Sutherland Equation Coefficients with Least-Squares Curve Fitting
https://www.maplesoft.com/applications/view.aspx?SID=154547&ref=Feed
The Sutherland equation is commonly used to describe the variation of gas viscosity with temperature.
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There are two constants in the equation. These are typically found by fitting experimental data for viscosity to the equation.
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This application finds the Sutherland coefficients for Helium.
<UL>
<LI>Frist, data for the viscosity of Helium at several temperatures is generated with the ThermophysicalData:-Property command.
<LI>Then, the Statistics:-NonlinearFit command is used to find the value of the two constants.
</UL>
This gives us the constants in the equation. The principles can be extended to any gas.<img src="https://www.maplesoft.com/view.aspx?si=154547/sutherland.png" alt="Finding the Sutherland Equation Coefficients with Least-Squares Curve Fitting" style="max-width: 25%;" align="left"/>The Sutherland equation is commonly used to describe the variation of gas viscosity with temperature.
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There are two constants in the equation. These are typically found by fitting experimental data for viscosity to the equation.
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This application finds the Sutherland coefficients for Helium.
<UL>
<LI>Frist, data for the viscosity of Helium at several temperatures is generated with the ThermophysicalData:-Property command.
<LI>Then, the Statistics:-NonlinearFit command is used to find the value of the two constants.
</UL>
This gives us the constants in the equation. The principles can be extended to any gas.https://www.maplesoft.com/applications/view.aspx?SID=154547&ref=FeedMon, 12 Aug 2019 04:00:00 ZSamir KhanSamir KhanSpontaneity of the Reaction of Nitrogen and Oxygen to form Nitrogen Monoxide
https://www.maplesoft.com/applications/view.aspx?SID=154411&ref=Feed
Nitrogen reacts with oxygen as follows.
<BR>
<BR>
<CENTER>
N<SUB>2</SUB> (g) + O<SUB>2</SUB> (g) → 2 NO (g)
</CENTER>
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This application will calculate the temperature at which this reaction becomes spontaneous.
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Using the empirical data in the ThermophysicalData:-Chemicals package, the application first defines a function that describes the Gibbs Energy of the reaction at an arbitrary temperature.
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This function is then numerically solved for the temperature at which the Gibbs Energy is zero. The reaction is spontaneous at or above this temperature.<img src="https://www.maplesoft.com/view.aspx?si=154411/image.png" alt="Spontaneity of the Reaction of Nitrogen and Oxygen to form Nitrogen Monoxide" style="max-width: 25%;" align="left"/>Nitrogen reacts with oxygen as follows.
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<BR>
<CENTER>
N<SUB>2</SUB> (g) + O<SUB>2</SUB> (g) → 2 NO (g)
</CENTER>
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This application will calculate the temperature at which this reaction becomes spontaneous.
<BR><BR>
Using the empirical data in the ThermophysicalData:-Chemicals package, the application first defines a function that describes the Gibbs Energy of the reaction at an arbitrary temperature.
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This function is then numerically solved for the temperature at which the Gibbs Energy is zero. The reaction is spontaneous at or above this temperature.https://www.maplesoft.com/applications/view.aspx?SID=154411&ref=FeedFri, 09 Mar 2018 05:00:00 ZSamir KhanSamir KhanGibbs Energy of Formation of Ammonia
https://www.maplesoft.com/applications/view.aspx?SID=154407&ref=Feed
Here, we calculate the Gibbs energy of formation of ammonia (NH3), given the reaction
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<CENTER>
N<SUB>2</SUB> (g) + 3 H<SUB>2</SUB> (g) → 2 NH<SUB>3</SUB> (g)
</CENTER>
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Values of the Gibbs energy of formation tabulated in the literature are normally only given at standard temperature, or for a small number of temperatures. However, the ThermophysicalData:-Chemicals package contains curve fits for experimental values of enthalpy and entropy of N<SUB>2</SUB>, H<SUB>2</SUB> and NH<SUB>3</SUB>, correlated against temperature.
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This means that Maple will help you calculate the Gibbs energy of formation of ammonia at any temperature (assuming that the enthalpy and entropy are within the bounds of the fitted data).<img src="https://www.maplesoft.com/applications/images/app_image_blank_lg.jpg" alt="Gibbs Energy of Formation of Ammonia" style="max-width: 25%;" align="left"/>Here, we calculate the Gibbs energy of formation of ammonia (NH3), given the reaction
<BR><BR>
<CENTER>
N<SUB>2</SUB> (g) + 3 H<SUB>2</SUB> (g) → 2 NH<SUB>3</SUB> (g)
</CENTER>
<BR>
Values of the Gibbs energy of formation tabulated in the literature are normally only given at standard temperature, or for a small number of temperatures. However, the ThermophysicalData:-Chemicals package contains curve fits for experimental values of enthalpy and entropy of N<SUB>2</SUB>, H<SUB>2</SUB> and NH<SUB>3</SUB>, correlated against temperature.
<BR><BR>
This means that Maple will help you calculate the Gibbs energy of formation of ammonia at any temperature (assuming that the enthalpy and entropy are within the bounds of the fitted data).https://www.maplesoft.com/applications/view.aspx?SID=154407&ref=FeedFri, 09 Mar 2018 05:00:00 ZSamir KhanSamir KhanGibbs Free Energy of Formation of Ethanol
https://www.maplesoft.com/applications/view.aspx?SID=154408&ref=Feed
This application will calculate the Gibbs Free Energy of Formation of ethanol (C2H5OH) at any temperature, employing thermodynamic data from the ThermophysicalData[Chemicals] package.
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The results (at various temperatures) are compared with data from the CRC Handbook of Chemistry and Physics. Good agreement is found.
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This chemical reaction describes how ethanol is formed from carbon, hydrogen and oxygen (in their stable states).
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2 C (gr) + 3 H<SUB>2</SUB> (g) + 0.5 O<SUB>2</SUB> (g) → C<SUB>2</SUB>H<SUB>5</SUB>OH (g)
<BR><BR>
Literature values of the Gibbs free energy of formation are normally only tabulated at standard temperature, or for a small number of temperatures. However, the ThermophysicalData:-Chemicals package contains temperature-dependent curve fits of enthalpy and entropy over a wide range of temperatures; these empirical relationships can be interrogated at any temperature.
<BR><BR>
This means that Maple will help you calculate the Gibbs free energy of formation of ethanol at any temperature (assuming that the enthalpy and entropy are within the bounds of the fitted data).
<BR><BR>
Reference: CRC Handbook of Chemistry and Physics, 94th Edition, 5-49, Haynes, William M.Reference: CRC Handbook of Chemistry and Physics, 94th Edition, 5-49, Haynes, William M.<img src="https://www.maplesoft.com/view.aspx?si=154408/image.png" alt="Gibbs Free Energy of Formation of Ethanol" style="max-width: 25%;" align="left"/>This application will calculate the Gibbs Free Energy of Formation of ethanol (C2H5OH) at any temperature, employing thermodynamic data from the ThermophysicalData[Chemicals] package.
<BR><BR>
The results (at various temperatures) are compared with data from the CRC Handbook of Chemistry and Physics. Good agreement is found.
<BR><BR>
This chemical reaction describes how ethanol is formed from carbon, hydrogen and oxygen (in their stable states).
<BR><BR>
2 C (gr) + 3 H<SUB>2</SUB> (g) + 0.5 O<SUB>2</SUB> (g) → C<SUB>2</SUB>H<SUB>5</SUB>OH (g)
<BR><BR>
Literature values of the Gibbs free energy of formation are normally only tabulated at standard temperature, or for a small number of temperatures. However, the ThermophysicalData:-Chemicals package contains temperature-dependent curve fits of enthalpy and entropy over a wide range of temperatures; these empirical relationships can be interrogated at any temperature.
<BR><BR>
This means that Maple will help you calculate the Gibbs free energy of formation of ethanol at any temperature (assuming that the enthalpy and entropy are within the bounds of the fitted data).
<BR><BR>
Reference: CRC Handbook of Chemistry and Physics, 94th Edition, 5-49, Haynes, William M.Reference: CRC Handbook of Chemistry and Physics, 94th Edition, 5-49, Haynes, William M.https://www.maplesoft.com/applications/view.aspx?SID=154408&ref=FeedFri, 09 Mar 2018 05:00:00 ZSamir KhanSamir KhanChemical Kinetics Reaction Rate Estimation
https://www.maplesoft.com/applications/view.aspx?SID=153983&ref=Feed
This application estimates the rate parameters for a reversible reaction with dimerization of an intermediate.
<BR><BR>
It does this by
<UL>
<LI>parameterizing (with respect to the rate parameters) the numerical solution of the different equations that describe the reaction kinetics
<LI>calculating the sum of the square of the errors between the model predictions and experimental data
<LI>minimizing the sum of the square of the errors to find the best fit values of the rate parameters
</UL><img src="https://www.maplesoft.com/view.aspx?si=153983/CKRR_Estimation.png" alt="Chemical Kinetics Reaction Rate Estimation" style="max-width: 25%;" align="left"/>This application estimates the rate parameters for a reversible reaction with dimerization of an intermediate.
<BR><BR>
It does this by
<UL>
<LI>parameterizing (with respect to the rate parameters) the numerical solution of the different equations that describe the reaction kinetics
<LI>calculating the sum of the square of the errors between the model predictions and experimental data
<LI>minimizing the sum of the square of the errors to find the best fit values of the rate parameters
</UL>https://www.maplesoft.com/applications/view.aspx?SID=153983&ref=FeedWed, 02 Mar 2016 05:00:00 ZSamir KhanSamir KhanParameter Estimation for a Chemical Reaction
https://www.maplesoft.com/applications/view.aspx?SID=153782&ref=Feed
<p>This application estimates the rate parameters for a reversible reaction with dimerization of an intermediate. It does this by</p>
<ul>
<li>parameterizing the numerical solution of the different equations that describe the reaction kinetics (with respect to the rate constants)</li>
<li>defining a procedure that calculates the sum of the square of the errors between the model predictions and experimental data,</li>
<li>and minimizing the sum of the square of the errors to find the best fit values of the rate constants</li>
</ul><img src="https://www.maplesoft.com/view.aspx?si=153782/chemical_kinetics.png" alt="Parameter Estimation for a Chemical Reaction" style="max-width: 25%;" align="left"/><p>This application estimates the rate parameters for a reversible reaction with dimerization of an intermediate. It does this by</p>
<ul>
<li>parameterizing the numerical solution of the different equations that describe the reaction kinetics (with respect to the rate constants)</li>
<li>defining a procedure that calculates the sum of the square of the errors between the model predictions and experimental data,</li>
<li>and minimizing the sum of the square of the errors to find the best fit values of the rate constants</li>
</ul>https://www.maplesoft.com/applications/view.aspx?SID=153782&ref=FeedThu, 09 Apr 2015 04:00:00 ZSamir KhanSamir KhanCalibrating Response Curves for the Concentration of Melatonin Sulfate in Human Urine
https://www.maplesoft.com/applications/view.aspx?SID=153783&ref=Feed
<p>This application calibrates response curves against data from an immunoassay that records the concentration of melatonin in human urine and its optical density.</p>
<p>Melatonin is excreted by the pineal gland and regulates human circadian rhythms. Deviations outside of normal boundaries may indicate sleep disorders, depression, schizophrenia, or a range of other conditions.</p><img src="https://www.maplesoft.com/view.aspx?si=153783/melatonin.png" alt="Calibrating Response Curves for the Concentration of Melatonin Sulfate in Human Urine" style="max-width: 25%;" align="left"/><p>This application calibrates response curves against data from an immunoassay that records the concentration of melatonin in human urine and its optical density.</p>
<p>Melatonin is excreted by the pineal gland and regulates human circadian rhythms. Deviations outside of normal boundaries may indicate sleep disorders, depression, schizophrenia, or a range of other conditions.</p>https://www.maplesoft.com/applications/view.aspx?SID=153783&ref=FeedThu, 09 Apr 2015 04:00:00 ZSamir KhanSamir KhanAnalysis of basic equations of state (II)
https://www.maplesoft.com/applications/view.aspx?SID=134136&ref=Feed
<p>This is the second of a series of Maple worksheets developed for teaching chemical thermodynamics.</p>
<p>Given a two-constant equation of state (the worksheet includes the most common), this worksheet calculates its critical point, reduced form, volumetric coefficients, Boyle's temperature, virial expansion and internal pressure.</p><img src="https://www.maplesoft.com/view.aspx?si=134136/436839\ae00ea34ed62fd64822a9ee2652b3c1c.gif" alt="Analysis of basic equations of state (II)" style="max-width: 25%;" align="left"/><p>This is the second of a series of Maple worksheets developed for teaching chemical thermodynamics.</p>
<p>Given a two-constant equation of state (the worksheet includes the most common), this worksheet calculates its critical point, reduced form, volumetric coefficients, Boyle's temperature, virial expansion and internal pressure.</p>https://www.maplesoft.com/applications/view.aspx?SID=134136&ref=FeedSat, 12 May 2012 04:00:00 ZChristian Viales MonteroChristian Viales MonteroVan der Waals equation of state (I)
https://www.maplesoft.com/applications/view.aspx?SID=134131&ref=Feed
<p>This is the first of a series of Maple worksheets developed for teaching chemical thermodynamics.</p>
<p>Given the van der Waals' constants, this worksheet plots: a) the PV van der Waals' isotherms as-given by the equation, b) the PV isotherms based on Maxwell's construction, c) the compressibility factor isotherms based on the low pressure series expansion, and d) the compressibility factor isotherms based on Maxwell's construction. All procedures are independent and were developed to work with the classic interface.</p><img src="https://www.maplesoft.com/view.aspx?si=134131/436827\41b8ef0a763a603085145e0cf8cd9b47.gif" alt="Van der Waals equation of state (I)" style="max-width: 25%;" align="left"/><p>This is the first of a series of Maple worksheets developed for teaching chemical thermodynamics.</p>
<p>Given the van der Waals' constants, this worksheet plots: a) the PV van der Waals' isotherms as-given by the equation, b) the PV isotherms based on Maxwell's construction, c) the compressibility factor isotherms based on the low pressure series expansion, and d) the compressibility factor isotherms based on Maxwell's construction. All procedures are independent and were developed to work with the classic interface.</p>https://www.maplesoft.com/applications/view.aspx?SID=134131&ref=FeedSat, 12 May 2012 04:00:00 ZChristian Viales MonteroChristian Viales MonteroKramers-Kronig Analysis of Spectral Data
https://www.maplesoft.com/applications/view.aspx?SID=129501&ref=Feed
<p>This application analyses experimental spectral reflection data with a Kramers-Kronig transform. Kramers-Kronig analysis is a technique employed by spectroscopists to investigate the relationship between the dispersion and dissipation of spectroscopy data.</p><img src="https://www.maplesoft.com/applications/images/app_image_blank_lg.jpg" alt="Kramers-Kronig Analysis of Spectral Data" style="max-width: 25%;" align="left"/><p>This application analyses experimental spectral reflection data with a Kramers-Kronig transform. Kramers-Kronig analysis is a technique employed by spectroscopists to investigate the relationship between the dispersion and dissipation of spectroscopy data.</p>https://www.maplesoft.com/applications/view.aspx?SID=129501&ref=FeedMon, 09 Jan 2012 05:00:00 ZMaplesoftMaplesoftChemical Equilibrium. Revised edition
https://www.maplesoft.com/applications/view.aspx?SID=129394&ref=Feed
<p><span>This worksheet describes chemical equilibrium at a general chemistry level. Basic concepts such as reaction quotient, equilibrium quotient and Le Châtelier's principle are explained with various practical chemistry examples. Characteristic problems about inorganic and mostly analytical chemistry in aqueous solution are adressed with exercises, plots and animations.</span></p><img src="https://www.maplesoft.com/view.aspx?si=129394/alpha.jpg" alt="Chemical Equilibrium. Revised edition" style="max-width: 25%;" align="left"/><p><span>This worksheet describes chemical equilibrium at a general chemistry level. Basic concepts such as reaction quotient, equilibrium quotient and Le Châtelier's principle are explained with various practical chemistry examples. Characteristic problems about inorganic and mostly analytical chemistry in aqueous solution are adressed with exercises, plots and animations.</span></p>https://www.maplesoft.com/applications/view.aspx?SID=129394&ref=FeedFri, 06 Jan 2012 05:00:00 ZRicardo HidalgoRicardo HidalgoChemical Equilibrium
https://www.maplesoft.com/applications/view.aspx?SID=127301&ref=Feed
<div>
<p>This worksheet describes chemical equilibrium at a general chemistry level. Basic concepts such as reaction quotient, equilibrium quotient and Le Châtelier's principle are explained with various practical chemistry examples. Characteristic problems about inorganic and mostly analytical chemistry in aqueous solution are adressed with exercises, plots and animations.</p>
</div><img src="https://www.maplesoft.com/view.aspx?si=127301/alpha.jpg" alt="Chemical Equilibrium" style="max-width: 25%;" align="left"/><div>
<p>This worksheet describes chemical equilibrium at a general chemistry level. Basic concepts such as reaction quotient, equilibrium quotient and Le Châtelier's principle are explained with various practical chemistry examples. Characteristic problems about inorganic and mostly analytical chemistry in aqueous solution are adressed with exercises, plots and animations.</p>
</div>https://www.maplesoft.com/applications/view.aspx?SID=127301&ref=FeedWed, 02 Nov 2011 04:00:00 ZRicardo HidalgoRicardo Hidalgo