A set of computer exercises developed for students to work with the Thermo-Calc software. Download our educational package for Students. Thermo-Calc Software. Download Thermo-Calc for free. Thermo-Calc is a powerful software package used to perform thermodynamic and phase diagram calculations for multi-component systems of practical importance. Thermo-Calc is advanced software used for computational materials design.
• Powell, R, Holland, TJB, & Worley, B, 1998. Calculating phase diagrams involving solid solutions via non-linear equations, with examples using THERMOCALC Journal of Metamorphic Geology 16, 577-588.
The examples are of three general categories: • Thermodynamic properties of elements and compounds • Phase diagrams • Equilibria in gases Some example exercises include: • Define the system Co. What phase is most stable at 1 bar and 1000K? • Evalute the molar Gibbs energy of the compound Fe 3C at 1000 °C. • Calculate the ternary phase diagram W-Co-C at 1 bar and 1400 °C. Perform the calculation by varying the mole percent of Co and C. • Compute the carbon activity of a gas made by mixing 1 mole of H 2 and 1 mole of CH 4 at 1 bar and 1200 K.
Software Thermo-Calc Academic is a limited version that can be used for one year and is intended only for educational purposes in an academic environment. It is limited in the sense that Thermo-Calc can only handle three components or fewer. The add-on Diffusion module (DICTRA) and Precipitation module (TC-PRISMA) are also included and up to three components are available for calculations. In comparison, the full version of Thermo-Calc and the add-on modules can handle systems with up to 40 components. Databases Thermo-Calc Academic comes with several demonstration thermodynamic and mobility databases that should be sufficient for solving the included examples. You can read more about the complete databases in the.
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Moreover, for specific rock compositions, many of these reactions are not 'seen' by a particular bulk composition. Most people are interested in specific mineral assemblages in the rocks they are studying, for which they have collected and analyzed. The advantage of the pseudosection approach is that this type of diagram portrays only the reactions we are interested in by examining a compositional slice through the full multi-component chemical system. One caveat of the pseudosection approach is the choice of bulk composition.
• (Quicktime Video 476kB Aug30 07) • (Quicktime Video 585kB Aug30 07) • (Quicktime Video 356kB Aug30 07) • (Quicktime Video 1.8MB Aug30 07) • Movies based on Worley, B, and Powell, R, 1998. Singularities in the system Na 2OCaOK 2OMgOFeO Al 2O 3SiO 2H 2O. Journal of Metamorphic Geology 16, 169-188. • (Quicktime Video 105kB Aug30 07) • (Quicktime Video 132kB Aug30 07) • (Quicktime Video 167kB Aug30 07) • (Quicktime Video 499kB Aug30 07) • (Quicktime Video 115kB Aug30 07) • (Quicktime Video 735kB Aug30 07) • Other Useful Information Related to ThermoCalc • (Acrobat (PDF) 93kB Aug30 07); including symbols for thermodynamic calculations, mineral abbreviations, and end-member mineral formulae. • (Acrobat (PDF) 30kB Aug30 07) • (Acrobat (PDF) 256kB Aug30 07) • (Acrobat (PDF) 188kB Aug30 07) • (Acrobat (PDF) 60kB Aug30 07) • (Acrobat (PDF) 171kB Aug30 07).
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Petrogenetic grids) (Fig. Show the mineral assemblages and ranges of mineral solid solutions at a specified P and T, for all the bulk compositions in the model system (e.g. AFM diagrams) (Fig. Show just those phase relationships for a specified bulk composition (Fig. Axes can be P and T, or may reference a particular bulk composition line X (Fig.
In finding a PT of formation, there is an implied displacement of the equilibria to coincide with this PT. These displacements are mainly made by varying the activities of the end-members of the minerals, in proportion to their uncertainties. As a consequence, the equilibria are constrained to move in a more or less highly correlated way because the equilibria involve overlapping subsets of the end-members.
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Thanks to a cooperation with Professors Mats Hillert and Malin Selleby from the at KTH Royal Institute of Technology, Stockholm, Sweden, we are able to provide an educational package to learn about thermodynamics completely free of charge. Our educational package for students can be downloaded by clicking the link on the right and filling in the form. You will then receive a download link by email where the following will be downloaded. • Textbook with Exercises • Lecture Slides • Computer Exercises • Software • Demo Databases Textbook with Exercises Computerized Thermodynamics for Materials Scientists and Engineers by Mats Hillert and Malin Selleby, Stockholm (2018). This is a 60 page PDF book that includes topics and exercises related to: • First and second laws of thermodynamics • Driving force and dissipation • Gibbs-Duhem relation • Gibbs phase rule • Adiabatic changes • Characteristic state function and Gibbs energy model • Constitution and constituents • Ideal solutions and related non-ideal solutions • Dilute solutions • The ideal gas model • Thermal vacancies and many more. Lecture Slides Slides are included to accompany the textbook. • Chapter 1: Basic Thermodynamics • Chapter 2: Solution Models Computer Exercises A set of computer exercises developed for students to work with the Thermo-Calc software.
Go to the table for saturated liquid/vapor, look up that temp and see what the pressure is [which is essentially looking up the vapor pressure at that temp]. If pressure > that given, you have a subcooled liquid. For the best answers, search on this site Suppose you have a steam flow exiting a turbine and you know the temperature and enthalpy but not the pressure. Go to your steam tables, find the temperature, look in the H column until you find that H, then read the pressure. However, if that exact H is not there, find where it would be between the two values above and below it. Then figure out how far from one to the other the exact value would be.
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These essential correlations should be included in any thermobarometry calculations. Such an optimal approach allows PT, their uncertainties, and a range of diagnostics for outlier identification, to be calculated in a computationally inexpensive way. Strengths & Limitations Univariant reactions in a petrogenetic grid are extremely useful in providing bounding constraints on the stability of mineral assemblages. However, petrogenetic grids, especially complex ones with lots of reactions, can be difficult to interpret, and most mineral assemblages in real rocks are higher variance.
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• Worley, B, & Powell, R, 1999. High-precision relative thermobarometry: theory and a worked example Journal of Metamorphic Geology 18, 91-102. Related Links • • • Links to THERMOCALC resources from Dave Waters' webpage. Teaching Activities • (Microsoft Word 53kB Mar29 07) - This Excel-based one week exercise, provided by Dave Pattison at the University of Calgary, includes problems sets involving multi-equilibrium thermobarometry using TWQ and ThermoCalc's 'AvePT' module ('Optimal thermobarometry'). Roger Powell's THERMOCALC Short Course, 2006 These are the files of presentations and problem sets presented at the Granulites 2006 short course in Sao Paulo, Brazil. Short Course Lecture Presentations • (Acrobat (PDF) 1.2MB Aug29 07) by Roger Powell • (Acrobat (PDF) 1.1MB Aug29 07) by Roger Powell • (Acrobat (PDF) 883kB Aug29 07) by Roger Powell • (PowerPoint 4.6MB Aug29 07) by Richard White • (Acrobat (PDF) 1.8MB Aug29 07) by Roger Powell Documents, Tutorials, Examples • (Acrobat (PDF) 127kB Aug30 07) presented at the 2006 ThermoCalc Short Course; (the documents that are refered to in this document can be accessed through the links below).
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T-x pseudosection in KFMASH (+mu+q+H2O), for a composition line along which FeO:MgO varies, with X = FeO/(FeO+MgO), and Al 2O 3 = 41.89, FeO + MgO = 45.48, and K 2O = 12.63 (in mol%). This composition line goes through the composition used in Fig. Click image to enlarge. Average PT Calculations With the existence of thermodynamic data for a wide range of end-members in rock-forming minerals, may involve combining many equilibria to find the PT of formation of a rock.
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An internally-consistent thermodynamic dataset for phases of petrological interest. Journal of Metamorphic Geology 16, 309-344. • Holland, TJB, & Powell, R, 2003. Activity-composition relations for phases in petrological calculations: an asymmetric multicomponent formulation.
If they equal the saturation values, we are dealing with a mixture. So to know what state your fluid is in this case, you are just going to look at either the pressure or temperature tables.
Contributions to Mineralogy and Petrology 145, 492-501. • Powell, R, 1978. Equilibrium Thermodynamics in Petrology Harper and Row, 284 pp. • Powell, R, Guiraud, M, & White, RW, 2005.
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• Background • (Acrobat (PDF) 310kB Aug30 07); includes terminology, Schreinemakers, Balancing Reactions and Projections. • (Acrobat (PDF) 432kB Aug30 07); including data from Holland and Powell (1998, Jour. Petrol.), and an extensive bibliography. • (Acrobat (PDF) 65kB Aug30 07) • (Acrobat (PDF) 51kB Aug30 07) • ThermoCalc • (Acrobat (PDF) 46kB Aug30 07) • (Acrobat (PDF) 197kB Aug30 07) • (Acrobat (PDF) 102kB Aug30 07) • (Acrobat (PDF) 168kB Aug30 07) • (Acrobat (PDF) 55kB Aug30 07) • (Acrobat (PDF) 622kB Aug30 07), showing graphical user interface, directions for running ThermoCalc, and annotated examples of ThermoCalc programs. • DrawPad • (Acrobat (PDF) 57kB Aug30 07) • (Acrobat (PDF) 43kB Aug30 07) • Activity composition (A-X) • (Acrobat (PDF) 41kB Aug30 07); includes mineral end-member activity models. • Practical Examples (Pracs) • (Acrobat (PDF) 41kB Aug30 07) • (Acrobat (PDF) 36kB Aug30 07) • (Acrobat (PDF) 40kB Aug30 07) • (Acrobat (PDF) 72kB Aug30 07) • Phase Diagram Movies (Way Cool!) You will need to upload QuickTime to view these movies!
_ _ . / //.: : .`don:... Thermo-Calc 2003p *SGI* (c) Thermo-Calc Software date: type: thermodynamics and diffusion size: 10 x 5 MB Description: Thermo-Calc is a powerful and flexible software package for performing various kinds of thermodynamic and phase diagram calculations. It handles complex problems involving the interaction of many elements and phases and is specially designed for systems and phases that exhibit highly non-ideal behaviour.