The liquid-vapour interface of QDO water. Flaviu Cipcigan Andrew Jones Jason Crain Vlad Sokhan Glenn Martyna
|
|
- Rachel Jennings
- 5 years ago
- Views:
Transcription
1 The liquid-vapour interface of QDO water Flaviu Cipcigan Andrew Jones Jason Crain Vlad Sokhan Glenn Martyna
2 The liquid-vapour interface of QDO water 1. Molecular models 2. The Quantum Drude Oscillator (QDO) 3. Introducing QDO water 4. Liquid-vapour interface of QDO water
3 Architecture: 1950
4 Architecture: now
5 The liquid-vapour interface of QDO water 1. Molecular models 2. The Quantum Drude Oscillator (QDO) 3. Introducing QDO water 4. Liquid-vapour interface of QDO water
6 Challenge efficiently model intermolecular interactions
7 Challenge efficiently model intermolecular interactions Solution begin with simple building blocks
8 Challenge efficiently model intermolecular interactions Solution begin with simple building blocks and assemble them into molecules
9 Molecular building blocks
10 Molecular building blocks Electrostatics Point charges
11 Molecular building blocks Electrostatics Point charges Constraints Translational Rotational
12 Molecular building blocks Electrostatics Point charges Constraints Translational Non-Coulomb forces van der Waals Rotational repulsion
13 Molecular building blocks Electrostatics Point charges Constraints Translational Non-Coulomb forces van der Waals Rotational repulsion Response (limited) Fluctuating dipole Charge transfer
14 The liquid-vapour interface of QDO water 1. Molecular models 2. The Quantum Drude Oscillator (QDO) 3. Introducing QDO water 4. Liquid-vapour interface of QDO water
15 Quantum Drude Oscillator (QDO) Light negative particle tethered harmonically to a heavy positive, oppositely charged nucleus
16 Quantum Drude Oscillator (QDO) Light negative particle tethered harmonically to a heavy positive, oppositely charged nucleus Free parameters reduced mass spring frequency charge
17 Quantum Drude Oscillator: Response Polarisation dipole
18 Quantum Drude Oscillator: Response Polarisation dipole Dispersion dipole-dipole dipole-quadrupole
19 Quantum Drude Oscillator: Invariants CH 4 H 2 O He Ne Ar Kr Xe H Li K Rb Cs Polarisation
20 Quantum Drude Oscillator: Invariants BH 3 CH 4 NH 3 H 2 O He Ne Ar Kr Xe H Li K Rb Cs Dispersion
21 Molecular building blocks Electrostatics Point charges Constraints Translational Non-Coulomb forces van der Waals Rotational repulsion Response Fluctuating dipole Quantum Drude Oscillator Charge transfer
22 The liquid-vapour interface of QDO water 1. Molecular models 2. The Quantum Drude Oscillator (QDO) 3. Introducing QDO water 4. Liquid-vapour interface of QDO water
23 The liquid-vapour interface of QDO water 1. Molecular models 2. The Quantum Drude Oscillator (QDO) 3. Introducing QDO water Frame QDO Repulsion Damping Sampling 4. Liquid-vapour interface of QDO water
24 1. Frame ground state moments A H O M e A e H
25 2. QDO molecular response = amu = = e
26 3. Repulsion Short range correction
27 4. Electrostatic Damping Short range correction Gaussian charges
28 4. Electrostatic Damping Short range correction Damped Coulomb
29 5. Efficient Sampling Path Integral Molecular Dynamics replace electron with chain of beads
30 5. Efficient Sampling Path Integral Molecular Dynamics no cross interactions between beads
31 The liquid-vapour interface of QDO water 1. Molecular models 2. The Quantum Drude Oscillator (QDO) 3. Introducing QDO water 4. Liquid-vapour interface of QDO water
32 1. Setup 300 QDO-water molecules Periodic boundaries Unit cell A 3
33 2. Density (g cm -3 ) Distance from centre (A)
34 3. Dipole moment (Debye) liquid gas Distance from centre (A)
35 3. Surface charge density (e A ) Distance from centre (A)
36 4. Electronic distribution (minus gas phase ground state charge density) 1.0 Slice: 1A Density (g cm -3 ) Distance from centre (A)
37 4. Electronic distribution (minus gas phase ground state charge density) 1.0 Slice: 13A Density (g cm -3 ) Distance from centre (A)
38 4. Electronic distribution (minus gas phase ground state charge density) 1.0 Slice: 15A Density (g cm -3 ) Distance from centre (A)
39 5. Nearest neighbour distribution 1.0 Slice: 1A Density (g cm -3 ) Distance from centre (A)
40 5. Nearest neighbour distribution Slice: 13A z Density (g cm -3 ) Distance from centre (A)
41 The liquid-vapour interface of QDO water 1. Molecular models 2. The Quantum Drude Oscillator (QDO) 3. Introducing QDO water 4. Liquid-vapour interface of QDO water
42 Conclusions QDOs are an accurate model for long range forces QDO water has a physical liquid-vapour interface Next steps Exploration of the interface's structure and the effects of dispersion and polarisation on physical properties References A. Jones, Quantum drude oscillators for accurate many-body intermolecular forces, PhD thesis, The University of Edinburgh A. Jones, F. Cipcigan, V. Sokhan, J. Crain, G. Martyna, Electronically coarse grained water, PRL (under review)
43
44 Liquid radial distribution function 3.0 g OO (r) Skinner et al. (exp). TIP4P_pol2 QDO latest r
CE 530 Molecular Simulation
1 CE 530 Molecular Simulation Lecture 14 Molecular Models David A. Kofke Department of Chemical Engineering SUNY Buffalo kofke@eng.buffalo.edu 2 Review Monte Carlo ensemble averaging, no dynamics easy
More informationIntroductory Nanotechnology ~ Basic Condensed Matter Physics ~
Introductory Nanotechnology ~ Basic Condensed Matter Physics ~ Atsufumi Hirohata Department of Electronics Go into Nano-Scale Lateral Size [m] 10-3 10-6 Micron-scale Sub-Micron-scale Nano-scale Human hair
More informationBonding and the Determination of Melting Points and Boiling Points
Bonding and the Determination of Melting Points and Boiling Points Melting Point/Freezing Point: The temperature at which a liquid becomes a solid and a solid becomes a liquid. 0 C is the freezing point
More informationAtomic Structure. Atomic weight = m protons + m neutrons Atomic number (Z) = # of protons Isotope corresponds to # of neutrons
Atomic Structure Neutrons: neutral Protons: positive charge (1.6x10 19 C, 1.67x10 27 kg) Electrons: negative charge (1.6x10 19 C, 9.11x10 31 kg) Atomic weight = m protons + m neutrons Atomic number (Z)
More informationPhysical Chemistry - Problem Drill 01: Chemistry and Physics Review
Physical Chemistry - Problem Drill 01: Chemistry and Physics Review No. 1 of 10 1. Chemical bonds are considered to be the interaction of their electronic structures of bonding atoms involved, with the
More informationSupplemental Activities. Module: States of Matter. Section: Intermolecular Forces - Key
Supplemental Activities Module: States of Matter Section: Intermolecular Forces - Key Electrostatic Forces ACTIVITY 1 The purpose of this activity is to practice recognizing the nature of the forces important
More informationINTERMEDIATE BONDING AND INTERMOLECULAR FORCES. Electronegativity
INTERMEDIATE BNDING AND INTERMLECULAR FRCES Electronegativity is defined as follows Electronegativity Electronegativity is the ability of an atom within a covalent bond to attract the bonding pair of electrons.
More informationName: Date: Period: #: BONDING & INTERMOLECULAR FORCES
BONDING & INTERMOLECULAR FORCES Page 1 INTERMOLECULAR FORCES Intermolecular forces (van der Waals forces) relative weak interactions that occur between molecules. Most of the physical properties of gases,
More informationChapter 10 Liquids, Solids, and Intermolecular Forces
Chapter 10 Liquids, Solids, and Intermolecular Forces The Three Phases of Matter (A Macroscopic Comparison) State of Matter Shape and volume Compressibility Ability to Flow Solid Retains its own shape
More informationScientific Computing II
Scientific Computing II Molecular Dynamics Simulation Michael Bader SCCS Summer Term 2015 Molecular Dynamics Simulation, Summer Term 2015 1 Continuum Mechanics for Fluid Mechanics? Molecular Dynamics the
More informationChapter 2: Atomic structure and interatomic bonding
Chapter 2: Atomic structure and interatomic bonding Fundamental concepts Electrons in atoms Periodic table Bonding forces and energies Chapter 2 - Chapter 2: Atomic structure and interatomic bonding Fundamental
More informationPhysics of Materials: Bonding and Material Properties On The basis of Geometry and Bonding (Intermolecular forces) Dr.
: Bonding and Material Properties On The basis of Geometry and Bonding (Intermolecular forces) Dr. Anurag Srivastava Atal Bihari Vajpayee Indian Institute of Information Technology and Manegement, Gwalior
More informationElectonegativity, Polar Bonds, and Polar Molecules
Electonegativity, Polar Bonds, and Polar Molecules Some Definitions Electronegativity: the ability of an atom to attract bonding electrons to itself. Intramolecular forces: the attractive force between
More informationChapter 3. Crystal Binding
Chapter 3. Crystal Binding Energy of a crystal and crystal binding Cohesive energy of Molecular crystals Ionic crystals Metallic crystals Elasticity What causes matter to exist in three different forms?
More informationCHAPTER 2: BONDING AND PROPERTIES
CHAPTER 2: BONDING AND PROPERTIES ISSUES TO ADDRESS... What promotes bonding? What types of bonds are there? What properties are inferred from bonding? Chapter 2-1 Atomic Structure (Freshman Chem.) atom
More informationIntermolecular Forces
Intermolecular Forces H covalent bond (stronger) Cl H Cl intermolecular attraction (weaker) The attractions between molecules are not nearly as strong as the covalent bonds that hold atoms together. They
More informationTHE SOLIDS AND LIQUID STATES ATOMIC SOLIDS AND LIQUIDS
SCH4U1 - DVORSKY THE SOLIDS AND LIQUID STATES The physical properties of solids and liquids are strongly influenced by the forces of attraction between the particles within them, known as intermolecular
More informationCompare the strength of IMFs present in three liquids. The liquids are in separate containers. A. CH 3 CH 2 NH 2 (liquid) B. CH 3 CH 2 F (liquid)
Compare the strength of IMFs present in three liquids. The liquids are in separate containers. A. CH 3 CH 2 NH 2 (liquid) B. CH 3 CH 2 F (liquid) C. CH 3 CH 2 OH (liquid) Draw two 3D Lewis Structures of
More informationTopic 04 Bonding 4.3 Intermolecular Forces. IB Chemistry T04D05
Topic 04 Bonding 4.3 Intermolecular orces IB Chemistry T04D05 Intermolecular orces 2 hrs 4.3.1 Describe the types of intermolecular forces (attractions between molecules that have temporary dipoles, permanent
More informationThe broad topic of physical metallurgy provides a basis that links the structure of materials with their properties, focusing primarily on metals.
Physical Metallurgy The broad topic of physical metallurgy provides a basis that links the structure of materials with their properties, focusing primarily on metals. Crystal Binding In our discussions
More informationChemistry 20 Lesson 13 Intermolecular Forces
Chemistry 20 Lesson 13 Intermolecular Forces I. Intermolecular Vs Intramolecular Forces The Kinetic Molecular Theory of gases, which we will study in a later unit, describes the behaviour of gases in terms
More informationChapter 2 Experimental sources of intermolecular potentials
Chapter 2 Experimental sources of intermolecular potentials 2.1 Overview thermodynamical properties: heat of vaporization (Trouton s rule) crystal structures ionic crystals rare gas solids physico-chemical
More informationAtoms & Their Interactions
Lecture 2 Atoms & Their Interactions Si: the heart of electronic materials Intel, 300mm Si wafer, 200 μm thick and 48-core CPU ( cloud computing on a chip ) Twin Creeks Technologies, San Jose, Si wafer,
More informationCHAPTER 1 Atoms and bonding. Ionic bonding Covalent bonding Metallic bonding van der Waals bonding
CHAPTER 1 Atoms and bonding The periodic table Ionic bonding Covalent bonding Metallic bonding van der Waals bonding Atoms and bonding In order to understand the physics of semiconductor (s/c) devices,
More information1. What subatomic particles do these symbols represent in Model 1?
Coulombic attraction is the attraction between oppositely charged particles. For example, the protons in the nucleus of an atom have attraction for the electrons surrounding the nucleus. This is because
More informationIntermolecular Forces I
I How does the arrangement of atoms differ in the 3 phases of matter (solid, liquid, gas)? Why doesn t ice just evaporate into a gas? Why does liquid water exist at all? There must be some force between
More informationComplete and precise descriptions based on quantum mechanics exist for the Coulombic/Electrostatic force. These are used to describe materials.
The forces of nature: 1. Strong forces hold protons and neutrons together (exchange of mesons) 2. Weak interactions are involved in some kinds of radioactive decay (β-decay) 3. Coulombic or electrostatic
More informationLecture C2 Microscopic to Macroscopic, Part 2: Intermolecular Interactions. Let's get together.
Lecture C2 Microscopic to Macroscopic, Part 2: Intermolecular Interactions Let's get together. Most gases are NOT ideal except at very low pressures: Z=1 for ideal gases Intermolecular interactions come
More informationFor the following intermolecular forces:
Lecturenotes 1 unit6_review_exercise_2017.odt Lecturenotes 2 unit6_review_exercise_2017.odt Lecturenotes 3 unit6_review_exercise_2017.odt Lecturenotes 4 unit6_review_exercise_2017.odt Answers: 1. Ionic
More informationBonding forces and energies Primary interatomic bonds Secondary bonding Molecules
Chapter 2. Atomic structure and interatomic bonding 2.1. Atomic structure 2.1.1.Fundamental concepts 2.1.2. Electrons in atoms 2.1.3. The periodic table 2.2. Atomic bonding in solids 2.2.1. Bonding forces
More informationIntermolecular Forces and Physical Properties
Intermolecular Forces and Physical Properties Attractive Forces Particles are attracted to each other by electrostatic forces. The strength of the attractive forces depends on the kind(s) of particles.
More informationCHM The Liquid State (r15) Charles Taylor 1/7
CHM 111 - The Liquid State (r15) - 2015 Charles Taylor 1/7 Introduction We have discussed solids and liquids in general. We're now going to discuss the liquid phase in greater detail. We will discuss properties
More informationComplicated, short range. þq 1 Q 2 /4p3 0 r (Coulomb energy) Q 2 u 2 /6(4p3 0 ) 2 ktr 4. u 2 1 u2 2 =3ð4p3 0Þ 2 ktr 6 ðkeesom energyþ
Bonding ¼ Type of interaction Interaction energy w(r) Covalent, metallic Complicated, short range Charge charge þq 1 Q 2 /4p3 0 r (Coulomb energy) Charge dipole Qu cos q/4p3 0 r 2 Q 2 u 2 /6(4p3 0 ) 2
More informationAtomic Structure & Interatomic Bonding
Atomic Structure & Interatomic Bonding Chapter Outline Review of Atomic Structure Atomic Bonding Atomic Structure Atoms are the smallest structural units of all solids, liquids & gases. Atom: The smallest
More informationlectures accompanying the book: Solid State Physics: An Introduction, by Philip ofmann (2nd edition 2015, ISBN-10: 3527412824, ISBN-13: 978-3527412822, Wiley-VC Berlin. www.philiphofmann.net 1 Bonds between
More informationClass XI: Chemistry Chapter 4: Chemical Bonding and Molecular Structure Top Concepts
1 Class XI: Chemistry Chapter 4: Chemical Bonding and Molecular Structure Top Concepts 1. The attractive force which holds together the constituent particles (atoms, ions or molecules) in chemical species
More informationElementary Materials Science Concepts - Interatomic Bonding. Interatomic Bonding
Atomic Bonding in Solids Elementary Materials Science Concepts - Additional Information: See: Chapter 2 Materials Science and Engineering An Introduction, William D. Callister, Jr. 6th Ed or 7th Ed (Wiley,
More informationATOMIC BONDING Atomic Bonding
ATOMIC BONDING Atomic Bonding Primary Bonds Secondary Bonds Ionic Covalent Metallic van der Waals 1. IONIC BONDING q 11 Na & 17 Cl These two ions are attracted to eachother by the electrostatic force developed
More informationAqueous solutions. Solubility of different compounds in water
Aqueous solutions Solubility of different compounds in water The dissolution of molecules into water (in any solvent actually) causes a volume change of the solution; the size of this volume change is
More informationElectrons and Molecular Forces
Electrons and Molecular Forces Chemistry 30 Ms. Hayduk Electron Configuration Atomic Structure Atomic Number Number of protons in the nucleus Defines the element Used to organize the periodic table 1 Bohr
More informationDownloaded from
Points to Remember Class: XI Chapter Name: Chemical Bonding and Molecular Structure Top Concepts 1. The attractive force which holds together the constituent particles (atoms, ions or molecules) in chemical
More information1. I can use Collision Theory to explain the effects of concentration, particle size, temperature, and collision geometry on reaction rates.
Chemical Changes and Structure Learning Outcomes SECTION 1 Controlling the Rate. Subsection (a) Collision Theory 1. I can use Collision Theory to explain the effects of concentration, particle size, temperature,
More informationCh. 9 NOTES ~ Chemical Bonding NOTE: Vocabulary terms are in boldface and underlined. Supporting details are in italics.
Ch. 9 NOTES ~ Chemical Bonding NOTE: Vocabulary terms are in boldface and underlined. Supporting details are in italics. I. Review: Comparison of ionic and molecular compounds Molecular compounds Ionic
More informationMaterials 218/UCSB: Class III Cohesion in solids van der Waals, ionic, covalent, metallic
Materials 218/UCSB: Class III Cohesion in solids van der Waals, ionic, covalent, metallic Ram Seshadri (seshadri@mrl.ucsb.edu) Introduction There are four forces in nature. The strong and the weak interactions
More informationAtomic structure & interatomic bonding. Chapter two
Atomic structure & interatomic bonding Chapter two 1 Atomic Structure Mass Charge Proton 1.67 х 10-27 kg + 1.60 х 10-19 C Neutron 1.67 х 10-27 kg Neutral Electron 9.11 х 10-31 kg - 1.60 х 10-19 C Electron
More informationThe dative covalent bond acts like an ordinary covalent bond when thinking about shape so in NH 4. the shape is tetrahedral
1.3 Bonding Definition Ionic bonding is the electrostatic force of attraction between oppositely charged ions formed by electron transfer. Metal atoms lose electrons to form ve ions. Non-metal atoms gain
More information2.2.2 Bonding and Structure
2.2.2 Bonding and Structure Ionic Bonding Definition: Ionic bonding is the electrostatic force of attraction between oppositely charged ions formed by electron transfer. Metal atoms lose electrons to form
More informationIntermolecular Forces and Strengths How do molecules stick together even in the worst of times?
Why? Intermolecular Forces and Strengths How do molecules stick together even in the worst of times? As you have learned, matter is made up of discrete particles called atoms, which chemically combine
More informationColloid Chemistry. La chimica moderna e la sua comunicazione Silvia Gross.
Colloid Chemistry La chimica moderna e la sua comunicazione Silvia Gross Istituto Dipartimento di Scienze di e Scienze Tecnologie Chimiche Molecolari ISTM-CNR, Università Università degli Studi degli Studi
More informationLiquids & Solids. Mr. Hollister Holliday Legacy High School Regular & Honors Chemistry
Liquids & Solids Mr. Hollister Holliday Legacy High School Regular & Honors Chemistry 1 Liquids 2 Properties of the States of Matter: Liquids High densities compared to gases. Fluid. The material exhibits
More informationDownloaded from
I.I.T.Foundation - XI Chemistry MCQ #4 Time: 45 min Student's Name: Roll No.: Full Marks: 90 Chemical Bonding I. MCQ - Choose Appropriate Alternative 1. The energy required to break a chemical bond to
More informationMolecular Geometries. Molecular Geometries. Remember that covalent bonds are formed when electrons in atomic orbitals are shared between two nuclei.
Molecular Geometries Lewis dot structures are very useful in determining the types of bonds in a molecule, but they may not provide the best insight into the spatial geometry of a molecule, i.e., how the
More informationQuantum Properties of Two-dimensional Helium Systems
Quantum Properties of Two-dimensional Helium Systems Hiroshi Fukuyama Department of Physics, Univ. of Tokyo 1. Quantum Gases and Liquids 2. Bose-Einstein Condensation 3. Superfluidity of Liquid 4 He 4.
More informationof its physical and chemical properties.
8.4 Molecular Shapes VSEPR Model The shape of a molecule determines many of its physical and chemical properties. Molecular l geometry (shape) can be determined with the Valence Shell Electron Pair Repulsion
More informationLecture: P1_Wk1_L1 IntraMolecular Interactions. Ron Reifenberger Birck Nanotechnology Center Purdue University 2012
Lecture: IntraMolecular Interactions Distinguish between IntraMolecular (within a molecule) and InterMolecular (between molecules) Ron Reifenberger Birck Nanotechnology Center Purdue University 2012 1
More informationScalable, performant, and resilient large-scale applications of molecular process engineering
Scalable, performant, and resilient large-scale applications of molecular process engineering M. Horsch,1 P. Gralka,2 C. Niethammer,3 N. Tchipev,4 J. Vrabec,5 H. Hasse1 1 University of Kaiserslautern,
More informationMolecular Dynamics Simulation of a Nanoconfined Water Film
Molecular Dynamics Simulation of a Nanoconfined Water Film Kyle Lindquist, Shu-Han Chao May 7, 2013 1 Introduction The behavior of water confined in nano-scale environment is of interest in many applications.
More informationAtomic and molecular interaction forces in biology
Atomic and molecular interaction forces in biology 1 Outline Types of interactions relevant to biology Van der Waals interactions H-bond interactions Some properties of water Hydrophobic effect 2 Types
More informationψ s a ˆn a s b ˆn b ψ Hint: Because the state is spherically symmetric the answer can depend only on the angle between the two directions.
1. Quantum Mechanics (Fall 2004) Two spin-half particles are in a state with total spin zero. Let ˆn a and ˆn b be unit vectors in two arbitrary directions. Calculate the expectation value of the product
More information1. What is the difference between intermolecular forces and intramolecular bonds? Variations in the Boiling Point of Noble Gases
NAME: DATE: Chemical Bonding Forces Assignment 1. What is the difference between intermolecular forces and intramolecular bonds? 2. Use your data booklet to fill in the following chart Variations in the
More informationExample questions for Molecular modelling (Level 4) Dr. Adrian Mulholland
Example questions for Molecular modelling (Level 4) Dr. Adrian Mulholland 1) Question. Two methods which are widely used for the optimization of molecular geometies are the Steepest descents and Newton-Raphson
More informationChem 11 Unit 4 POLARITY, MOLECULE SHAPE, and BEHAVIOUR
Chem 11 Unit 4 POLARITY, MOLECULE SHAPE, and BEHAVIOUR Polarity is unequal distribution of a charge on a molecule caused by: 1) some degree of ionic character in the bonding (i.e. unequal electron sharing)
More informationPhysics of Condensed Matter I
Physics of Condensed Matter I 1100-4INZ`PC Solid State 1 Faculty of Physics UW Jacek.Szczytko@fuw.edu.pl Chemical bonding and molecules Born Oppenheimer approximation Max Born (1882-1970) Jacob R. Oppenheimer
More informationModule17: Intermolecular Force between Surfaces and Particles. Lecture 23: Intermolecular Force between Surfaces and Particles
Module17: Intermolecular Force between Surfaces and Particles Lecture 23: Intermolecular Force between Surfaces and Particles 1 We now try to understand the nature of spontaneous instability in a confined
More informationFINAL EXAM REVIEW CHM IB DR. DIXON
DISCLAIMER: SOME OF THIS MATERIAL WAS TAKEN FROM OTHER MATERIALS CREATED BY OTHER SI LEADERS. THERE IS A POSSIBILITY THAT THIS REVIEW CONTAINS ERRORS. PLEASE REFER TO YOUR TEXTBOOK, CLASS SLIDES OR YOUR
More informationCOSMO-RS Theory. The Basics
Theory The Basics From µ to properties Property µ 1 µ 2 activity coefficient vapor pressure Infinite dilution Gas phase Pure compound Pure bulk compound Partition coefficient Phase 1 Phase 2 Liquid-liquid
More informationIonic Bonds. H He: ... Li Be B C :N :O :F: :Ne:
Ionic Bonds Valence electrons - the electrons in the highest occupied energy level - always electrons in the s and p orbitals - maximum of 8 valence electrons - elements in the same group have the same
More informationCh 9 Liquids & Solids (IMF) Masterson & Hurley
Ch 9 Liquids & Solids (IMF) Masterson & Hurley Intra- and Intermolecular AP Questions: 2005 Q. 7, 2005 (Form B) Q. 8, 2006 Q. 6, 2007 Q. 2 (d) and (c), Periodic Trends AP Questions: 2001 Q. 8, 2002 Q.
More informationMultiphase Flow and Heat Transfer
Multiphase Flow and Heat Transfer Liquid-Vapor Interface Sudheer Siddapuredddy sudheer@iitp.ac.in Department of Mechanical Engineering Indian Institution of Technology Patna Multiphase Flow and Heat Transfer
More informationSolutions and Intermolecular Forces
Solutions and Intermolecular Forces REVIEW Chemical Bonds Three basic types of bonds: Ionic Electrostatic attraction between ions Covalent Sharing of electrons Metallic Metal atoms bonded to several other
More informationAtoms, Molecules and Solids (selected topics)
Atoms, Molecules and Solids (selected topics) Part I: Electronic configurations and transitions Transitions between atomic states (Hydrogen atom) Transition probabilities are different depending on the
More informationCHEMICAL BONDS A CHEMICAL BOND IS A FORCE OF ATTRACTION HOLDING THE ATOMS OR IONS TOGETHER.
CHEMICAL BONDS A CHEMICAL BOND IS A FORCE OF ATTRACTION HOLDING THE ATOMS OR IONS TOGETHER. q Elements tend to enter into chemical reaction to gain stability q This is satisfied by completing the octet
More informationGeneral Physical Chemistry II
General Physical Chemistry II Lecture 13 Aleksey Kocherzhenko October 16, 2014" Last time " The Hückel method" Ø Used to study π systems of conjugated molecules" Ø π orbitals are treated separately from
More informationCHAPTER 2: BONDING AND PROPERTIES
CHAPTER 2: BONDING AND PROPERTIES ISSUES TO ADDRESS... What promotes bonding? What types of bonds are there? What properties are inferred from bonding? Chapter 2 1 Fundamental concepts Proton and electron,
More informationPY5020 Nanoscience Scanning probe microscopy
PY500 Nanoscience Scanning probe microscopy Outline Scanning tunnelling microscopy (STM) - Quantum tunnelling - STM tool - Main modes of STM Contact probes V bias Use the point probes to measure the local
More informationSodium, Na. Gallium, Ga CHEMISTRY Topic #2: The Chemical Alphabet Fall 2017 Dr. Susan Findlay See Exercises 9.2 to 9.7.
Sodium, Na Gallium, Ga CHEMISTRY 1000 Topic #2: The Chemical Alphabet Fall 2017 Dr. Susan Findlay See Exercises 9.2 to 9.7 Forms of Carbon Kinetic Molecular Theory of Matter The kinetic-molecular theory
More informationIntermolecular Forces & Condensed Phases
Intermolecular Forces & Condensed Phases CHEM 107 T. Hughbanks READING We will discuss some of Chapter 5 that we skipped earlier (Van der Waals equation, pp. 145-8), but this is just a segue into intermolecular
More informationChapter 2: Atomic structure and interatomic bonding. Chapter 2: Atomic structure and interatomic bonding
Chapter 2: Atomic structure and interatomic bonding Fundamental concepts Electrons in atoms Periodic table Bonding forces and energies Chapter 2: Atomic structure and interatomic bonding Fundamental concepts
More informationWhat factors affect whether something is a solid, liquid or gas? What actually happens (breaks) when you melt various types of solids?
States of Mattter What factors affect whether something is a solid, liquid or gas? What actually happens (breaks) when you melt various types of solids? What external factors affect whether something is
More information11.1 Intermolecular Forces Keeping Matter Together
11.1 Intermolecular Forces Keeping Matter Together Nature s Forces Dr. Fred Omega Garces Chemistry 201 Miramar College 1 Intermolecular Forces Keeping Matter Together Phases of Matter: Terminology Energy
More informationTopic0990 Electrical Units In attempting to understand the properties of chemical substances, chemists divide chemistry into two parts.
Topic99 Electrical Units In attempting to understand the properties of chemical substances, chemists divide chemistry into two parts. In one part, chemists are interested in understanding intramolecular
More informationQ. What happens when you boil (melt) a compound?
Intermolecular Forces (MHR Text p. 202 206) Molecular compounds are: 1) made up of molecules 2) are made up of two or more nonmetallic atoms 3) held together by covalent bonds (sharing e ) Q. But what
More informationPolar molecules vs. Nonpolar molecules A molecule with separate centers of positive and negative charge is a polar molecule.
CHM 123 Chapter 8 8.5 8.6 Polar covalent Bonds and Dipole moments Depending on the relative electronegativities of the two atoms sharing electrons, there may be partial transfer of electron density from
More informationLiquid Drop Model From the definition of Binding Energy we can write the mass of a nucleus X Z
Our first model of nuclei. The motivation is to describe the masses and binding energy of nuclei. It is called the Liquid Drop Model because nuclei are assumed to behave in a similar way to a liquid (at
More informationAtomic and Molecular Dimensions
1 Atomic and Molecular Dimensions Equilibrium Interatomic Distances When two atoms approach each other, their positively charged nuclei and negatively charged electronic clouds interact. The total interaction
More informationCHAPTER 2. Atomic Structure And Bonding 2-1
CHAPTER 2 Atomic Structure And Bonding 2-1 Structure of Atoms ATOM Basic Unit of an Element Diameter : 10 10 m. Neutrally Charged Nucleus Diameter : 10 14 m Accounts for almost all mass Positive Charge
More informationPOGIL: Intermolecular Forces
Name Date Block POGIL: Intermolecular Forces Model 1: What is an intermolecular force? As you have learned, matter is made up of discrete particles called atoms, which chemically combine to form molecules.
More informationQuantum Condensed Matter Physics Lecture 4
Quantum Condensed Matter Physics Lecture 4 David Ritchie QCMP Lent/Easter 2019 http://www.sp.phy.cam.ac.uk/drp2/home 4.1 Quantum Condensed Matter Physics 1. Classical and Semi-classical models for electrons
More informationCHEMISTRY. Chapter 11 Intermolecular Forces Liquids and Solids
CHEMISTRY The Central Science 8 th Edition Chapter 11 Liquids and Solids Kozet YAPSAKLI States of Matter difference between states of matter is the distance between particles. In the solid and liquid states
More informationBonding Practice Problems
NAME 1. When compared to H 2 S, H 2 O has a higher 8. Given the Lewis electron-dot diagram: boiling point because H 2 O contains stronger metallic bonds covalent bonds ionic bonds hydrogen bonds 2. Which
More informationCHEM1100 Summary Notes Module 2
CHEM1100 Summary Notes Module 2 Lecture 14 Introduction to Kinetic Theory & Ideal Gases What are Boyle s and Charles Laws? Boyle s Law the pressure of a given mass of an ideal gas is inversely proportional
More informationLecture 6 - Bonding in Crystals
Lecture 6 onding in Crystals inding in Crystals (Kittel Ch. 3) inding of atoms to form crystals A crystal is a repeated array of atoms Why do they form? What are characteristic bonding mechanisms? How
More informationChemical bonding & structure
Chemical bonding & structure Ionic bonding and structure Covalent bonding Covalent structures Intermolecular forces Metallic bonding Ms. Thompson - SL Chemistry Wooster High School Topic 4.4 Intermolecular
More informationCoulombic Attraction
Why? Coulombic Attraction What variables will affect the force of attraction between charged particles? Coulombic attraction is the attraction between oppositely charged particles. For example, the protons
More information1 Points to Remember Subject: Chemistry Class: XI Chapter: States of matter Top concepts 1. Intermolecular forces are the forces of attraction and repulsion between interacting particles (atoms and molecules).
More informationChapter 4 Phase Transitions. 4.1 Phenomenology Basic ideas. Partition function?!?! Thermodynamic limit Statistical Mechanics 1 Week 4
Chapter 4 Phase Transitions 4.1 Phenomenology 4.1.1 Basic ideas Partition function?!?! Thermodynamic limit 4211 Statistical Mechanics 1 Week 4 4.1.2 Phase diagrams p S S+L S+G L S+G L+G G G T p solid triple
More informationChapter 1: Chemical Bonding
Chapter 1: Chemical Bonding Linus Pauling (1901 1994) January 30, 2017 Contents 1 The development of Bands and their filling 3 2 Different Types of Bonds 7 2.1 Covalent Bonding.............................
More informationMolecular interactions. Levente Novák István Bányai Zoltán Nagy Department of Physical Chemistry
Molecular interactions Levente Novák István Bányai Zoltán Nagy Department of Physical Chemistry Characterization of colloidal systems Degree of dispersion (=size) Morphology (shape and internal structure)
More informationWhen intermolecular forces are strong, the atoms, molecules, or ions are strongly attracted to each other, and draw closer together.
INTERMOLECULAR FORCES: THE FORCE BEHIND VARIOUS PROPERTIES WHY? Intermolecular forces are largely responsible for the properties of affinity, solubility, volatility, melting/ boiling point, and viscosity.
More informationSparks CH301. WHY IS EVERYTHING SO DIFFERENT? Gas, Liquid or Solid? UNIT 3 Day 7
Sparks CH301 WHY IS EVERYTHING SO DIFFERENT? Gas, Liquid or Solid? UNIT 3 Day 7 What are we going to do today? Discuss types of intermolecular forces. Compare intermolecular forces for different molecules.
More information