Recent Changes

Saturday, October 22

  1. page cq1617 edited ... Consecutive reactions Reactions involving preequilibrium ... equation for To approxima…
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    Consecutive reactions
    Reactions involving preequilibrium
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    equation for
    To approximate the solution of those more complex processes, we have explained the so-called Steady State Approximation.
    ...
    been explained).
    Analytical solutions may be found in a different way, like Laplace Transforms.
    (view changes)
    1:56 am
  2. page cq1617 edited ... The rate constant does not change along the reaction for a given temperature. Its dependen on …
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    The rate constant does not change along the reaction for a given temperature. Its dependen on temperature follows, as a first approximation, Arrehnius law.
    The simplest reaction, A->B, may also have the simplest expression (first-order) for the differential rate law: d[A]/dt = k [A]. It may be solved analytically by straight integration.
    Reactions may be second-order, zeroth-order, fractionary order... And for reactions like A + B -> P expressions for the differential rate law may be complicated and even analytically unsolvable.
    When a differential rate law can be solved analytically, then an explicit expression for [A] as a function of time is obtained, thus an integrated rate law. We have defined halflife for [A] and other concepts similar concepts.
    Sometimes the method of initial rates may be useful when starting from experimental experiments.
    We have considered thus first-order and higher-order reactions, with an only reactant, and more than one reactant.
    Then, for more complex reactions, we have tackled:
    - Reactions close to equilibrium, and its relationship to the concept of equilibrium constant.
    - Reactions involving intermediates:
    Consecutive reactions
    Reactions involving preequilibrium
    For more complex reactions, one must write down a differential equation for
    To approximate the solution of those more complex processes, we have explained the so-called Steady State Approximation.
    Instead of an analytical solution to differential rate laws (i.e., finding the integrated rate law), one may consider numerical solutions. For instance, a numerical solving of the differential equations may be found through the Runge-Kutta procedure (the simplest yet bad method, Euler procedure, has been explained).
    Analytical solutions may be found in a different way, like Laplace Transforms.

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    1:56 am
  3. page cq1617 edited Concepts of 1st teaching period, Chemical Kinetics, 2016/17 Our course deals with the rate of che…
    Concepts of 1st teaching period, Chemical Kinetics, 2016/17
    Our course deals with the rate of chemical reactions.
    Upon experimentation, one realizes that reaction rates may be stated as a function of the concentrations of the species appearing (reactants, products, intermediates...)
    The rate of a chemical reaction is unique. However, depending on stoichiometry the rate at which reactants are consumed and products are generated may differ.
    Sometimes the differential rate law (i.e., the rate of change of concentration) may be stated simply as a constant times a power of concentrations. Then one may think of reaction order
    The rate constant does not change along the reaction for a given temperature. Its dependen on temperature follows, as a first approximation, Arrehnius law.
    The simplest reaction, A->B, may also have the simplest expression (first-order) for the differential rate law: d[A]/dt = k [A]. It may be solved analytically by straight integration.

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    12:55 am
  4. page cq1617 edited Concepts of 1st teaching period, Chemical Kinetics, 2016/17
    Concepts of 1st teaching period, Chemical Kinetics, 2016/17
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    12:48 am

Monday, January 18

  1. page home edited Scientific Communication, Doctoral School, University of Girona 2015/16 Academic Year, 18-22 Ja…

    Scientific Communication, Doctoral School, University of Girona
    2015/16 Academic Year, 18-22 January
    2014/15 Academic Year: 19-23 January
    2013/14 Academic Year: December
    (view changes)
    12:43 am

Wednesday, December 30

  1. page cq1516 edited ... TORRENTE GUIJARRO, MARÕA 12 Study Complementary study materials for ARRHENIUS Temperatur…
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    TORRENTE GUIJARRO, MARÕA
    12
    StudyComplementary study materials for
    ARRHENIUS Temperature Dependence of Reaction Rates
    At Chemwiki: http://chemwiki.ucdavis.edu/Physical_Chemistry/Kinetics/Modeling_Reaction_Kinetics/Temperature_Dependence_of_Reaction_Rates/The_Arrhenius_Law/Arrhenius_Equation
    (view changes)
    1:59 am
  2. page cq1516 edited ... Group 8 Present and discuss the paper "Simulation of First-Order Chemical Kinetics Using …
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    Group 8 Present and discuss the paper "Simulation of First-Order Chemical Kinetics Using Cellular Automata", http://pubs.acs.org/doi/abs/10.1021/ci960103u?journalCode=jcics1 J. Chem. Inf. Comput. Sci., 1997, 37 (2), pp 386–391,
    Proposals for Wed 2 December (note that there will be no class on Wed 25 November)
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    oxygen) Atkins
    Group 10 Radical polymerization See Atkins + https://en.wikipedia.org/wiki/Radical_polymerization
    Proposals for Wed 9 December
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    TORRENTE GUIJARRO, MARÕA
    12
    Study materials for exam 2 (11 Jan 2016)
    ARRHENIUS Temperature Dependence of Reaction Rates
    At Chemwiki: http://chemwiki.ucdavis.edu/Physical_Chemistry/Kinetics/Modeling_Reaction_Kinetics/Temperature_Dependence_of_Reaction_Rates/The_Arrhenius_Law/Arrhenius_Equation
    Nice,simple interpretation at
    http://www.chem1.com/acad/webtext/dynamics/dynamics-3.html with a beautiful concept map for reaction mechanisms: dynmap4.jpg
    A couple of videos are found at http://ch302.cm.utexas.edu/kinetics/temp-depend/selector.php?name=arrhenius-law
    On Chain reactions:
    UCDavis ChemWiki:
    [lecture] http://chemwiki.ucdavis.edu/Organic_Chemistry/Organic_Chemistry_With_a_Biological_Emphasis/Chapter_17%3A_Radical_reactions/Section_17.2%3A_Radical_chain_reactions
    Lecture 18 - Chain reactions (presented actually)
    [lecture] http://www.dstuns.iitm.ac.in/teaching-and-presentations/teaching/undergraduate%20courses/cy102-equilibrium-and-dynamics-of-chemical-systems/lectures-2004/L18.pdf
    Chain-growth polymerization
    Wikipedia:
    https://en.wikipedia.org/wiki/Chain-growth_polymerization
    Kinetic of Condensation (Step-Growth) Polymerization
    http://infochem.hanyang.ac.kr/courses/polylec/11.%20Kinetic%20of%20Condensation%20(Step-Growth)%20Polymerization.pdf
    Video:
    https://www.youtube.com/watch?v=Els5JNYfHQE
    Video on step-growth polymerization:
    https://www.youtube.com/watch?v=0r2F70_kmUA
    Well covered in Wikipedia: Polymerization
    [lecture]https://en.wikipedia.org/wiki/Polymerization
    Explosions
    [lecture] http://soliton.ae.gatech.edu/people/jseitzma/classes/ae6766/kineticsChainH2.pdf
    Numerical solutions:
    http://chemistry.illinoisstate.edu/standard/che38056/lecture_notes/380.56chapter12-S06.pdf
    [lecture] Tenua simulator
    Tenua-the kinetics simulator for Java
    Tenua allows you to write out chemical reactions and calculate the concentrations of all the species over time. It can also compare the simulation to real data and automatically calculate the correct rate constants and other parameters to fit the data.
    http://bililite.com/tenua/
    See example in http://www.chm.davidson.edu/vce/kinetics/IntegratedRateLaws.html
    CLASSICAL COLLISION THEORY, POTENTIAL ENERGY SURFACES AND TRANSITION STATE THEORY
    OVERVIEW
    http://www.fysik.su.se/~rdt/Molecular%20Physics/FK7012-Lecture_16.pdf
    Scholarpedia:
    http://www.scholarpedia.org/article/Chemical_reaction_kinetics
    CLASSICAL COLLISION THEORY
    https://en.wikipedia.org/wiki/Collision_theory
    Intro video worth viewving:
    https://www.youtube.com/watch?v=NO413LiI6QA
    Useful:
    https://www.youtube.com/watch?v=BBU6LP5ByTo&list=PLNo63t_rsUnKOVDYSHSeLxe7FBE6u-aQM
    Fun video:
    https://www.youtube.com/watch?v=WeBE-_LRb2s
    Good info:
    http://www.umich.edu/~elements/03chap/html/collision/
    Microscopic theory:
    [lecture] https://chemistry.tcd.ie/assets/pdf/sf-chemistry/megl/SF%20Chemical%20Kinetics%20Michaelmas%202011%20L5.pdf
    MOLECULAR REACTION DYNAMICS
    http://vallance.chem.ox.ac.uk/pdfs/ReactionDynamicsLectureNotes2012.pdf
    TrANSITION STATE THEORY
    Good:
    http://www.umich.edu/~elements/03chap/html/transition/index.htm

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    1:56 am

Thursday, December 17

  1. page ct3 edited ... TEDxMed http://www.slideshare.net/quelgir/20140425-tedxmed MOOC #mxic201 Scheduling, Ranki…
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    TEDxMed http://www.slideshare.net/quelgir/20140425-tedxmed
    MOOC #mxic201
    Scheduling,Ranking research(ers)
    Rankings: Universities and Research:
    the GTD method.
    Brainstorming
    H-index, weighted impact factor, actual impact
    Indicadors de Recerca i Innovació de les Universitats Públiques Catalanes 2015 http://www.indicadorsuniversitats.cat/documents/2015/informe_2015.pdf

    Productivity tools, team work
    Scheduling, the GTD method
    Brainstorming

    Mental map, conceptual map
    Leadership
    Gamification
    Recommended:
    Recommended book: "Y tú,
    ...
    qué marca eres?"eres?", Neus Arqués
    Tasks:
    Comment ACUP's ranking
    Edit a wikipedia article related to iqcc's line of research
    Create mental map, create conceptual map
    4. Strategic planning and project management
    Strategic planning and project management
    Leadership
    Gamification

    5. Project writing
    6. Scholarship
    (view changes)
    1:39 am
  2. page ct3 edited ... Lecture scheduling: 1. Mon 14/12/2015 Room E10 2. Proposed Wed 16/12/2015 3. Thu 17/12/20…
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    Lecture scheduling:
    1. Mon 14/12/2015 Room E10
    2. Proposed Wed 16/12/2015
    3. Thu 17/12/2015 Room E10
    No class on Fri 18 and Mon 21
    4. Proposed Tue 22/12/2015
    5-7. In January, TBA. 21 and 29 are available. Afternoon sessions are available too. February also.
    Seminars by staff:
    ...
    1 seminar by TT researcher
    1 seminar by TT researcher
    Seminars by F. Blasco
    Fun stuff
    PhD Comics http://phdcomics.com
    ...
    Gamification
    Recommended: "Y tú, de qué marca eres?"
    Tasks:
    Edit a wikipedia article related to iqcc's line of research
    Create mental map, create conceptual map
    (view changes)
    12:05 am
  3. page ct3 edited ... Fill out survey 2. (Continued) Fear of failure, fear of rejection Competences: managing ru…
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    Fill out survey
    2. (Continued)
    Fear of failure, fear of rejection
    Competences: managing rumors + repuattion attack, managing evaluation metrics (disagreeing)

    e-Supervision http://www.slideshare.net/quelgir/20131031-esupervision
    Viquitrobada http://www.slideshare.net/quelgir/cincia-oberta-i-viquipdia
    Task: create ORCID identifier
    3. (Continued)

    TEDxMed http://www.slideshare.net/quelgir/20140425-tedxmed
    MOOC #mxic201
    Scheduling, the GTD method.
    Fear of failure, fear of rejection
    Competences: managing rumors + repuattion attack, managing evaluation metrics (disagreeing)
    Brainstorming
    Productivity toolstools, team work
    Mental map, conceptual map
    Leadership

    Gamification
    3.Recommended: "Y tú, de qué marca eres?"
    Tasks:
    Edit a wikipedia article related to iqcc's line of research
    Create mental map, create conceptual map
    4.
    Strategic planning
    ...
    project management
    4.

    Strategic planning and project management
    5.
    Project writing
    5. Leadership

    6. Scholarship
    7. Critical thinking. Lateral thinking, singularity
    (view changes)
    12:03 am

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