Wiki on Chemical Kinetics course, Biotech UdG, 2015/16.

Instructions for Chemical Kinetics oral exercises.

Insight into Chemical Kinetics is better enhanced by direct work on a particular subject, thorugh a "flipped classroom" approach. Thus, a handful of particular cases will be delivered by students and commented further by the professor. This group is being also evaluated for its competence in the English language, so such presentations will be used to assess it.

12 groups of 5 students each, to be held each Monday or Wednesday starting 26 October 2015 (please note that we will have presentations both on Mon 26 and Wed 28)
12 minutes talk: 5x2 minutes each student, 2-minute questions, 3 minutes overhead.
Students will be assigned randomly to present each slide.
PPT-like presentation should have 5 slides. Each slide will carry a 2-minute talk.
All slides and speech should be in English.
PPT-like files should be made available in the Internet (e.g., Slideshare, google docs, dropbox, etc.) carrying a CC-BY-SA license.
Assessment of this activity will account for 5% of the global grade of the course.

Hints: Presentation should be divided roughly evently into 5 parts: introduction, part 1, part 2, part 3, discussion-conclusion. However, each team may provide its own division ideas.

Evaluation:
We will use a simple rubric, partially arising from http://www.upc.edu/slt/comcomunicar/files/rubrica_oral_en.pdf having three parts:
- Content (towards 5% final grade)
- Communication of content and nonverbal communication (towards English oral communication competence assessment)
- English language (towards English language competence assessment)

Particular instructions for Monday 26 October 2015:

Group 1: 3rd-order reactions: oxidation of nitrogen(II) oxide, analysis of a preequilibrium assumption
2 NO + O2 -> 2 NO2
Where the rate of formation of the product is proportional to the concentration of oxygen and the squared concentration of NO.
Ref: e.g. Atkins' Physical Chemistry

Group 2: Parallel reactions: 1st-order decay from a single reactant to three different products
A -> B
A -> C
A -> D
With three different rate constants.
Reference: e.g. Steinfeld et al, "Chemical Kinetics and Dynamics"

Proposals for Wednesday 28 October:

Group 3: Parallel reactions: 1st-order decay to the same products from different reactants
A -> P
B -> P
C -> P
With three different rate constants.
Reference: e.g. Steinfeld et al, "Chemical Kinetics and Dynamics"

Group 4: Present, discuss and likely extend the paper "Ants and Chemical Kinetics", J. Chem. Educ., 1990, 67 (9), p 761, DOI: 10.1021/ed067p761.

Proposals for Wed 11 November

Group 5 The Michalis-Menten mechanism: enzyme catalysis (see e.g. Atkins' book. Derive it from scratch)

Group 6 Present and discuss the paper
Kinetics of Consecutive Reactions: "First Reaction, First-Order; Second Reaction, Zeroth Order", J. Chem. Educ. 1998, 75 (7), p 917, DOI: 10.1021/ed075p917

Proposals for Wed 18 November

Group 7 Present and discuss the paper "Application of graph theory to chemical kinetics", J. Chem. Educ., 1992, 69 (7), p 544 http://pubs.acs.org/doi/pdf/10.1021/ed069p544

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)

Group 9 Combustion reactions and explosions (hydrogen + oxygen) Atkins

Group 10 Radical polymerization See Atkins + https://en.wikipedia.org/wiki/Radical_polymerization

Proposals for Wed 9 December

Group 11 Step-growth polymerization See Atkins+ https://en.wikipedia.org/wiki/Step-growth_polymerization

Group 12 The TENUA simulator for chemical kinetics http://bililite.com/tenua/


Group composition:
AMAGAT I MOLAS, JORDI
1
CUERVAS OLIVERAS, IRENE
1
MCCULLOUGH FIGUERAS, MARCEL
1
RODRIGUEZ NAVARRO, LIDIA
1
Vilajoliu Martorell, Ariadna
1
AZIDANE CHENLO, SARA
2
CORT…S ANDR…S, ADRI¿
2
MONROS GARRIGOSA, GEORGINA
2
ROMERO RIVERO, MARIA LUCIA
2
VIVAS CAMINALS, MARIA DEL MAR
2
BLAY CADANET, J⁄LIA
3
COMELLA PONS, PILAR
3
OLIVARES VILLALOBOS, DANIELA
3
ROMERO RODA, GERARD
3
ANDR…S DE ROZAS, MARÕA DEL CARMEN
3
Bonet Garcia, Neus Isabel
4
DomËnech GarcÌa, Heura
4
PARGA ABUÕN, SHEILA
4
RUIZ-HERRERA POYAL, SERGIO
4
CEADA TORRES, GERARDO
4
BUIGUES JORRO, PEDRO JUAN
5
EXP“SIT GOY, MARC
5
PEREZ MONTESINO, JESICA
5
S¡NCHEZ MARQU…S, RAQUEL
5
DE BERNARDO SOLER, ERIC
5
CABALLERO MOYA, ANNA
6
FERRER CASTELL¿, CLARA
6
PLANAS SERRA, LAURA
6
SANCHEZ PASCUA, CAROLINA
6
DELGADO HORTAL, CRISTINA
6
CANO ATTO, MANUEL
7
GARRIDO BLEDA, NOÀL
7
PONS CAMPS, BERNAT
7
SASTRE BELLVEHÕ, MARTA
7
L”PEZ RAMOS, BEATRIZ DE LAS MERCEDES
7
CASADEVALL FRANCO, GUILLEM
8
LLUANSÕ SALIS, ALEIX
8
PUIG BOSCH, X»NIA
8
SIDERA I PLA, PAU
8
PIBERNAT JUNQU…, NORA
8
CHAGUACEDA GALISTEO, ISMAEL
9
MADRENAS SERRA, LAIA
9
PUJAL G”MEZ, LEILA
9
TABERNER FELIP, IRENE
9
PORT LINARES, HELENA
9
CID RODRÕGUEZ, MARÕA
10
MARTIN IGLESIAS, SHEILA
10
RAFAEL MIGUEL, DAVID
10
TORNER BLANCAFORT, CARLES
10
PUJOLASSOS TANY¿, MERITXELL
10
CLEMENTE GOMEZ, SERGIO
11
MARTÕNEZ CANT”N, MIRIAM
11
RAMOS ALGARRA, DAMI¡N
11
TORRAS ARRIAGA, MARIA
11
TORRECILLAS SANLLEHI, ANNA
11
CLOP…S BELLSOLELL, ANNA
12
MAS” ORRIOLS, SERGI
12
RIBAS PEREZ, IRENE
12
TORRES CANO, LAURA
12
TORRENTE GUIJARRO, MARÕA
12

Complementary 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