Rudolf Žitný, Ústav procesní a zpracovatelské techniky ČVUT FS 201 3

1. This course is approximately at this level CHEMISTRYE182019 CH1 General information about course, Basic notions-quantities Remark: foils with „black background“ could be skipped, they are aimed to the more advanced courses Rudolf Žitný, Ústav procesní a zpracovatelské techniky ČVUT FS 2013

2. CHEMISTRYE1820192+1 (Lectures+Tutorials), Classified assesment, 3 credits, Wednesdays 10:45, room 504 CH1 http://www.fsid.cvut.cz/~zitnyrud/ • LecturesProf.Ing.Rudolf Žitný, CSc. (Wednesday10:45) • TutorialsIng.Jaromír Štancl, Ing.Jan Skočilas (Wednesday 12:30) • Evaluation 80(test)+20(labor.protocol and oral discussion) points excellent very good good satisfactory sufficient failed Summary: General chemistry from the point of view of mechanical and process engineering. Physical chemistry forms 2/3 of the course (structure and properties of matter, thermodynamics, phase equilibrium, chemical reactions, reaction engineering), the remaining 1/3 is devoted to organic chemistry (hydrocarbons, polymers) and biochemistry. Laboratory practice is oriented upon the material properties measurement.

3. CHEMISTRYE182019 CH1 Students according to database KOS For more information about the chemistry course look at my web pages http://users.fs.cvut.cz/~zitnyrud/or to the moodle system of prezentations http://moodle.fs.cvut.cz

4. CHEMISTRYE182019 CH1 First lecture 24.9.2014Room 504

5. Jméno DUPS LITERATURE CH1 • Textbook: Žitný R., Krysa J.: Chemistry, ČVUT Praha, 2000 • Books: Malone L.J.:Basic concepts of chemistry. J.Wiley&Sons, N.Y., 1994 Bloomfield M.M.:Chemistry and living organisms. J.Wiley&Sons, N.Y., 1992 Moran M.J., Shapiro H.N.: Fundamentals of Engineering Thermodynamics, J.Wiley&Sons, N.Y., 1992 • Database of scientific articles: You (students of CTU) have direct access to full texts of thousands of papers, available at knihovny.cvut.cz

6. DATABASE selection CH1 You can find out qualification of your teacher (the things he is really doing and what he knows) The most important journals for technology (full texts if pdf format)

7. SCIENCE DIRECT CH1 Specify topic by keywords (in a similar way like in google) Title of paper is usually sufficient guide for selection.

8. CHEMISTRY CH1 Only 3 lectures will be delivered Principal subject of this course (important for mechanical engineers)

9. CHEMISTRY CH1 Why chemistry for mechanical engineers? Typical examples Combustion and chemical reactors (example reactor for steam reforming) Processing and properties of plasts

10. CHEMISTRY CH1 Why chemistry for mechanical engineers? Typical examples Microbial activity in a transported food E.Coli Salmonella

11. Properties of matter CH1 Physical properties (intensive) T,p,v,u,s,h,… usually lower case letters Physical quantities (extensive) U, S, H, … usually capitals Rules of nomenclature • Symbols are usually derived from english words (t for time, T for temperature, m for mass, L for length, V for volume, p for pressure, c for capacity or concentration). Exceptions: U-internal energy, H-enthalpy, S-entropy, G-Gibbs energy, Q-heat. B) If there exists a pair (intensive/extensive) we use CAPITALs for extensive parameter (V-volume, v-specific volume, H-enthalpy, h-specific enthalpy,…) C) If a property is related to unit mass, use the word SPECIFIC (e.g. v-specific volume, c-specific heat capacity, u-specific internal energy, s-specific entropy, g-specific Gibbs energy of 1 kg) D) If a property is related to number of particles, use the word MOLAR and lowercase with tilda. As a unit of number of particles is 1 mole (Avogadro’s number) = 6.022.1023. molar internal energy, molar volume and molar enthalpy.

12. UNITS - conversion CH1 Units SI (Standard International) kg/m/s/K, English lb,ft,0F mass mkg 1 lb=0.4536 kg molar mass Mkg/kmol length Lm 1 ft=0.3048 m 1 in=0.0254 m temperature TK,oC oF=1.8 oC+32, K=C+273.15 internal energy UJ 1 BTU=1055.056 J 1 cal=4.186 J enthalpy H J entropy SJ/K specific volume v m3/kg force F(=m.a) N(=kg.m/s2) 1 lbf=0.4536∙9.81=4.448222 N pressure p(=F/m2) Pa(=N/m2) 1 bar=105Pa 1 mm Hg=133.22 Pa 1 psi=6895 Pa density (=1/v) kg/m3 Prefixes k kilo m milli 10-3 μ micro 10-6 red cell 10 m n nano 10-9 macromolecules p pico 10-12 atomic radius measured in pm

13. PREFIXES - relax CH1 TERA = 1012 PICO = 10-12 GIGA = 109 NANO = 10-9

14. Examples-conversion CH1 Please remember at least density of air (1.2), atmospheric pressure (1 Bar) and enthalpy of evaporation of water (2.4 MJ/kg)

15. Examples-unit consistency CH1 You do not know (probably) meaning of the following equations. But you can check their corectness by checking units (dimensions of any term must be the same) It is highly recommended to check in this way any equation or correlation used in your calculations. This is the most effective techniques of errors localisation. For interested reader: the first equation is the first law of thermodynamic in terms of entropy, the second is Maxwell equation and the last one is state equation of ideal gas. These equations will be discussed in more details later in this course.

16. Avogadro’s number CH1 Chemistry describes matter at the molecular level. Because amount of atoms/molecules in analyzed samples is extremely large, it is useful to use a new unit for counting tiny elements (atoms, electrons, molecules,…) mole = 6.02 x 1023 (Avogadro's number) Statement that in a reactor are 2 moles of O2 means that there are 12.1023 molecules of oxygen (or 4 moles of atoms O). Avogadro's number is the number of atoms in 12 grams of pure carbon 12C(the upper index 12 identifies the prevailing isotope of carbon). There are 6.1023 of atoms in 1.008 grams of pure hydrogen. Using this we can conclude, that the mass of one atom of 12C is approximately 12 times greater than the mass of one atom of hydrogen. For other elements the relative masses are presented in the Periodic Table of the Elements. Examples of atomic masses (H-hydrogen, C-carbon, N-nitrogen, O-oxygen, Na-sodium, S-sulphur, Cl-chlorine MH=1.008 g/mole, MC=12.011 g/mole, MN=14.007 g/mole, MO=15.999 g/mole, MNa=22.990 g/mole, MS=32.066 g/mole, MCl=35.453 g/mole. This value is little bit greater than 12. The reason is that the value 12.011 corresponds to the mixture of carbon isotopes encountered in nature (atomic mass 12 holds only for the pure carbon 12)

17. Atomic mass - example 1 cm L CH1 Let us demonstrate, how the atomic mass of titanium (Ti) can be evaluated, given: • Measured density of solid titanium cube =4.4 g/cm3 • Size of cell (edge in the crystal lattice) measured by X-ray technique L=330.6 pm Solution: Titanium crystal lattice is of the type Body Centered Lattice (BCC) looking like this How many atoms are in one cell? Answer nc=2 (see Figure, not 9, think about it) How many atoms are in cube having side 1cm? Answer N=nc/L3/106 (106 is conversion 1m =100cm) How many moles of atoms are in the cube? Answer n=N/6.02.1023 Atomic mass of titanium Answer MTi=/n [g/mol] Final formula (and even than use a pocket calculator) periodic table Ti 47.87 atomic mass

18. ISOTOPES – atomic structure 1H Electron Proton 3H Electron 2H Electron Neutron Neutron Proton Proton CH1 There exist different isotopes of almost any element, characterized by the same number of protons (positively charged particles in nucleus), the same number number of negatively charged electrons (at orbits), but different number of neutral nucleus particles – neutrons. Neutron has approximately the same mass as proton (and mass of electrons is almost negligible). Example is hydrogen Deuterium Tritium A -Mass number (protons+neutrons) Z - Atomic number (protons=electrons)

19. Historical remark - atom CH1 Dalton – law of multiple proportions Thomson – discovery of electrons 1897 (plum pudding model) Rutheford – mass concentrated in nucleus 1909 (planet model) Bohr – discrete orbitals, distance of electrons proportional to energy 1913 Rutheford – nuclear particles 1918 Murray Gell-Mann, Zweig – quarks 1964

20. Historical remark - nucleus CH1 Discovery of nucleus is contribution of Rutheford, who interpreted experiments carried out by Geiger. Geiger bombarded a target (gold Au – sheet) by -particles. Almost all particles came through without any changes of motion, but some were bounced back. Rutheford said: “Ridiculous, it is like a 15” shell bounced from a soft tissue”. It was a nucleus, tiny, but with a big concentrated mass, having capacity to bounce back the incoming -particle of a comparable mass.  source detectors

21. summary – atomic structure CH1 Molecules of compounds consist of atoms, which have a nucleus (protons+neutrons) and an electron shell. Atomic number Z is the number of protons (=number of electrons). Atomic mass is the mass of protons and neutrons in the nucleus (mass of 1 proton = mass of 1 neutron = 1 amu). Isotopes are elements with the same atomic number but different atomic mass (a different number of neutrons).