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Characteristics of Chemical Equilibrium
Characteristics of Chemical Equilibrium Chapter 14: Chemical Equilibrium © 2008 Brooks/Cole 1 © 2008 Brooks/Cole 2 Equilibrium is Dynamic Equilibrium is Independent of Direction of Approach Reactants convert to products N2(g) + 3 H2(g) 2 NH3(g) a A + b B c C + d D Species do not stop forming OR being destroyed Rate of formation = rate of removal Concentrations are constant. © 2008 Brooks/Cole 3 © 2008 Brooks/Cole 4 Equilibrium and Catalysts The Equilibrium Constant For the 2-butene isomerization: H3C CH3 H3C H C=C C=C H H H CH3 At equilibrium: rate forward = rate in reverse An elementary reaction, so: kforward[cis] = kreverse[trans] © 2008 Brooks/Cole 5 © 2008 Brooks/Cole 6 1 The Equilibrium Constant The Equilibrium Constant At equilibrium the concentrations become constant. We had: kforward[cis] = kreverse[trans] kforward [trans] or = kreverse [cis] kforward [trans] Kc = = = 1.65 (at 500 K) kreverse [cis] “c” for concentration based © 2008 Brooks/Cole 7 © 2008 Brooks/Cole 8 The Equilibrium Constant The Equilibrium Constant For a general reaction: a A + b B c C + d D [NO]2 N2(g) + O2(g) 2 NO(g) Kc = Products raised to [N2] [O2] stoichiometric powers… k [C]c [D]d forward …divided by reactants Kc = = a b kreverse [A] [B] raised to their stoichiometric [SO ] 1 2 powers 8 S8(s) + O2(g) SO2(g) Kc = [O2] © 2008 Brooks/Cole 9 © 2008 Brooks/Cole 10 Equilibria Involving Pure Liquids and Solids Equilibria in Dilute Solutions [Solid] is constant throughout a reaction. density g / L • pure solid concentration = mol. -
Laboratory 1: Chemical Equilibrium 1
1 Laboratory 1: Chemical Equilibrium 1 Reading: Olmstead and Williams, Chemistry , Chapter 14 (all sections) Purpose: The shift in equilibrium position of a chemical reaction with applied stress is determined. Introduction Chemical Equilibrium No chemical reaction goes to completion. When a reaction stops, some amount of reactants remain. For example, although we write → ← 2 CO 2 (g) 2 CO (g) + O 2 (g) (1) as though it goes entirely to products, at 2000K only 2% of the CO 2 decomposes. A chemical reaction reaches equilibrium when the concentrations of the reactants and products no longer change with time. The position of equilibrium describes the relative amounts of reactants and products that remain at the end of a chemical reaction. The position of equilibrium for reaction (1) is said to lie with the reactants, or to the left, because at equilibrium very little of the carbon dioxide has reacted. On the other hand, in the reaction → ← H2 (g) + ½ O2 (g) H2O (g) (2) the equilibrium position lies very far to the right since only very small amounts of H 2 and O 2 remain after the reaction reaches equilibrium. Since chemists often wish to maximize the yield of a reaction, it is vital to determine how to control the position of the equilibrium. The equilibrium position of a reaction may shift if an external stress is applied. The stress may be in the form of a change in temperature, pressure, or the concentration of one of the reactants or products. For example, consider a flask with an equilibrium mixture of CO 2, CO, and O 2, as in reaction (1). -
Eyring Equation
Search Buy/Sell Used Reactors Glass microreactors Hydrogenation Reactor Buy Or Sell Used Reactors Here. Save Time Microreactors made of glass and lab High performance reactor technology Safe And Money Through IPPE! systems for chemical synthesis scale-up. Worldwide supply www.IPPE.com www.mikroglas.com www.biazzi.com Reactors & Calorimeters Induction Heating Reacting Flow Simulation Steam Calculator For Process R&D Laboratories Check Out Induction Heating Software & Mechanisms for Excel steam table add-in for water Automated & Manual Solutions From A Trusted Source. Chemical, Combustion & Materials and steam properties www.helgroup.com myewoss.biz Processes www.chemgoodies.com www.reactiondesign.com Eyring Equation Peter Keusch, University of Regensburg German version "If the Lord Almighty had consulted me before embarking upon the Creation, I should have recommended something simpler." Alphonso X, the Wise of Spain (1223-1284) "Everything should be made as simple as possible, but not simpler." Albert Einstein Both the Arrhenius and the Eyring equation describe the temperature dependence of reaction rate. Strictly speaking, the Arrhenius equation can be applied only to the kinetics of gas reactions. The Eyring equation is also used in the study of solution reactions and mixed phase reactions - all places where the simple collision model is not very helpful. The Arrhenius equation is founded on the empirical observation that rates of reactions increase with temperature. The Eyring equation is a theoretical construct, based on transition state model. The bimolecular reaction is considered by 'transition state theory'. According to the transition state model, the reactants are getting over into an unsteady intermediate state on the reaction pathway. -
Answer Key Chapter 16: Standard Review Worksheet – + 1
Answer Key Chapter 16: Standard Review Worksheet – + 1. H3PO4(aq) + H2O(l) H2PO4 (aq) + H3O (aq) + + NH4 (aq) + H2O(l) NH3(aq) + H3O (aq) 2. When we say that acetic acid is a weak acid, we can take either of two points of view. Usually we say that acetic acid is a weak acid because it doesn’t ionize very much when dissolved in water. We say that not very many acetic acid molecules dissociate. However, we can describe this situation from another point of view. We could say that the reason acetic acid doesn’t dissociate much when we dissolve it in water is because the acetate ion (the conjugate base of acetic acid) is extremely effective at holding onto protons and specifically is better at holding onto protons than water is in attracting them. + – HC2H3O2 + H2O H3O + C2H3O2 Now what would happen if we had a source of free acetate ions (for example, sodium acetate) and placed them into water? Since acetate ion is better at attracting protons than is water, the acetate ions would pull protons out of water molecules, leaving hydroxide ions. That is, – – C2H3O2 + H2O HC2H3O2 + OH Since an increase in hydroxide ion concentration would take place in the solution, the solution would be basic. Because acetic acid is a weak acid, the acetate ion is a base in aqueous solution. – – 3. Since HCl, HNO3, and HClO4 are all strong acids, we know that their anions (Cl , NO3 , – and ClO4 ) must be very weak bases and that solutions of the sodium salts of these anions would not be basic. -
Estimation of Viscosity Arrhenius Pre-Exponential Factor and Activation Energy of Some Organic Liquids E
ISSN 2350-1030 International Journal of Recent Research in Physics and Chemical Sciences (IJRRPCS) Vol. 5, Issue 1, pp: (18-26), Month: April 2018 – September 2018, Available at: www.paperpublications.org ESTIMATION OF VISCOSITY ARRHENIUS PRE-EXPONENTIAL FACTOR AND ACTIVATION ENERGY OF SOME ORGANIC LIQUIDS E. IKE1 and S. C. EZIKE2 1,2Department of Physics, Modibbo Adama University of Technology, P. M. B. 2076, Yola, Adamawa State, Nigeria. Corresponding Author‟s E-mail: [email protected] Abstract: Information concerning fluid’s physico-chemical behaviors is of utmost importance in the design, running and optimization of industrial processes, in this regard, the idea of fluid viscosity quickly comes to mind. Models have been proposed in literatures to describe the viscosity of liquids and fluids in general. The Arrhenius type equations have been proposed for pure solvents; correlating the pre-exponential factor A and activation energy Ea. In this paper, we aim at extending these Arrhenius parameters to simple organic liquids such as water, ethanol and Diethyl ether. Hence, statistical method and analysis are applied using viscosity data set from the literature of some organic liquids. The Arrhenius type equation simplifies the estimation of viscous properties and the calculations thereafter. Keywords: Viscosity, organic liquids, Arrhenius parameters, correlation, statistics. 1. INTRODUCTION All fluids are compressible and when flowing are capable of sustaining shearing stress on account of friction between the adjacent layers. Viscosity (η) is the inherent property of all fluids and may be referred to as the internal friction offered by a fluid to the flow. For water in a beaker, when stirred and left to itself, the motion subsides after sometime, which can happen only in the presence of resisting force acting on the fluid. -
Guide for the Use of the International System of Units (SI)
Guide for the Use of the International System of Units (SI) m kg s cd SI mol K A NIST Special Publication 811 2008 Edition Ambler Thompson and Barry N. Taylor NIST Special Publication 811 2008 Edition Guide for the Use of the International System of Units (SI) Ambler Thompson Technology Services and Barry N. Taylor Physics Laboratory National Institute of Standards and Technology Gaithersburg, MD 20899 (Supersedes NIST Special Publication 811, 1995 Edition, April 1995) March 2008 U.S. Department of Commerce Carlos M. Gutierrez, Secretary National Institute of Standards and Technology James M. Turner, Acting Director National Institute of Standards and Technology Special Publication 811, 2008 Edition (Supersedes NIST Special Publication 811, April 1995 Edition) Natl. Inst. Stand. Technol. Spec. Publ. 811, 2008 Ed., 85 pages (March 2008; 2nd printing November 2008) CODEN: NSPUE3 Note on 2nd printing: This 2nd printing dated November 2008 of NIST SP811 corrects a number of minor typographical errors present in the 1st printing dated March 2008. Guide for the Use of the International System of Units (SI) Preface The International System of Units, universally abbreviated SI (from the French Le Système International d’Unités), is the modern metric system of measurement. Long the dominant measurement system used in science, the SI is becoming the dominant measurement system used in international commerce. The Omnibus Trade and Competitiveness Act of August 1988 [Public Law (PL) 100-418] changed the name of the National Bureau of Standards (NBS) to the National Institute of Standards and Technology (NIST) and gave to NIST the added task of helping U.S. -
Drugs and Acid Dissociation Constants Ionisation of Drug Molecules Most Drugs Ionise in Aqueous Solution.1 They Are Weak Acids Or Weak Bases
Drugs and acid dissociation constants Ionisation of drug molecules Most drugs ionise in aqueous solution.1 They are weak acids or weak bases. Those that are weak acids ionise in water to give acidic solutions while those that are weak bases ionise to give basic solutions. Drug molecules that are weak acids Drug molecules that are weak bases where, HA = acid (the drug molecule) where, B = base (the drug molecule) H2O = base H2O = acid A− = conjugate base (the drug anion) OH− = conjugate base (the drug anion) + + H3O = conjugate acid BH = conjugate acid Acid dissociation constant, Ka For a drug molecule that is a weak acid The equilibrium constant for this ionisation is given by the equation + − where [H3O ], [A ], [HA] and [H2O] are the concentrations at equilibrium. In a dilute solution the concentration of water is to all intents and purposes constant. So the equation is simplified to: where Ka is the acid dissociation constant for the weak acid + + Also, H3O is often written simply as H and the equation for Ka is usually written as: Values for Ka are extremely small and, therefore, pKa values are given (similar to the reason pH is used rather than [H+]. The relationship between pKa and pH is given by the Henderson–Hasselbalch equation: or This relationship is important when determining pKa values from pH measurements. Base dissociation constant, Kb For a drug molecule that is a weak base: 1 Ionisation of drug molecules. 1 Following the same logic as for deriving Ka, base dissociation constant, Kb, is given by: and Ionisation of water Water ionises very slightly. -
Ideal Gasses Is Known As the Ideal Gas Law
ESCI 341 – Atmospheric Thermodynamics Lesson 4 –Ideal Gases References: An Introduction to Atmospheric Thermodynamics, Tsonis Introduction to Theoretical Meteorology, Hess Physical Chemistry (4th edition), Levine Thermodynamics and an Introduction to Thermostatistics, Callen IDEAL GASES An ideal gas is a gas with the following properties: There are no intermolecular forces, except during collisions. All collisions are elastic. The individual gas molecules have no volume (they behave like point masses). The equation of state for ideal gasses is known as the ideal gas law. The ideal gas law was discovered empirically, but can also be derived theoretically. The form we are most familiar with, pV nRT . Ideal Gas Law (1) R has a value of 8.3145 J-mol1-K1, and n is the number of moles (not molecules). A true ideal gas would be monatomic, meaning each molecule is comprised of a single atom. Real gasses in the atmosphere, such as O2 and N2, are diatomic, and some gasses such as CO2 and O3 are triatomic. Real atmospheric gasses have rotational and vibrational kinetic energy, in addition to translational kinetic energy. Even though the gasses that make up the atmosphere aren’t monatomic, they still closely obey the ideal gas law at the pressures and temperatures encountered in the atmosphere, so we can still use the ideal gas law. FORM OF IDEAL GAS LAW MOST USED BY METEOROLOGISTS In meteorology we use a modified form of the ideal gas law. We first divide (1) by volume to get n p RT . V we then multiply the RHS top and bottom by the molecular weight of the gas, M, to get Mn R p T . -
Electrochemistry –An Oxidizing Agent Is a Species That Oxidizes Another Species; It Is Itself Reduced
Oxidation-Reduction Reactions Chapter 17 • Describing Oxidation-Reduction Reactions Electrochemistry –An oxidizing agent is a species that oxidizes another species; it is itself reduced. –A reducing agent is a species that reduces another species; it is itself oxidized. Loss of 2 e-1 oxidation reducing agent +2 +2 Fe( s) + Cu (aq) → Fe (aq) + Cu( s) oxidizing agent Gain of 2 e-1 reduction Skeleton Oxidation-Reduction Equations Electrochemistry ! Identify what species is being oxidized (this will be the “reducing agent”) ! Identify what species is being •The study of the interchange of reduced (this will be the “oxidizing agent”) chemical and electrical energy. ! What species result from the oxidation and reduction? ! Does the reaction occur in acidic or basic solution? 2+ - 3+ 2+ Fe (aq) + MnO4 (aq) 6 Fe (aq) + Mn (aq) Steps in Balancing Oxidation-Reduction Review of Terms Equations in Acidic solutions 1. Assign oxidation numbers to • oxidation-reduction (redox) each atom so that you know reaction: involves a transfer of what is oxidized and what is electrons from the reducing agent to reduced 2. Split the skeleton equation into the oxidizing agent. two half-reactions-one for the oxidation reaction (element • oxidation: loss of electrons increases in oxidation number) and one for the reduction (element decreases in oxidation • reduction: gain of electrons number) 2+ 3+ - 2+ Fe (aq) º Fe (aq) MnO4 (aq) º Mn (aq) 1 3. Complete and balance each half reaction Galvanic Cell a. Balance all atoms except O and H 2+ 3+ - 2+ (Voltaic Cell) Fe (aq) º Fe (aq) MnO4 (aq) º Mn (aq) b. -
Neighbor List Collision-Driven Molecular Dynamics Simulation for Nonspherical Hard Particles
Neighbor List Collision-Driven Molecular Dynamics Simulation for Nonspherical Hard Particles. I. Algorithmic Details Aleksandar Donev,1, 2 Salvatore Torquato,1, 2, 3, ∗ and Frank H. Stillinger3 1Program in Applied and Computational Mathematics, Princeton University, Princeton NJ 08544 2Materials Institute, Princeton University, Princeton NJ 08544 3Department of Chemistry, Princeton University, Princeton NJ 08544 Abstract In this first part of a series of two papers, we present in considerable detail a collision-driven molecular dynamics algorithm for a system of nonspherical particles, within a parallelepiped sim- ulation domain, under both periodic or hard-wall boundary conditions. The algorithm extends previous event-driven molecular dynamics algorithms for spheres, and is most efficient when ap- plied to systems of particles with relatively small aspect ratios and with small variations in size. We present a novel partial-update near-neighbor list (NNL) algorithm that is superior to previ- ous algorithms at high densities, without compromising the correctness of the algorithm. This efficiency of the algorithm is further increased for systems of very aspherical particles by using bounding sphere complexes (BSC). These techniques will be useful in any particle-based simula- tion, including Monte Carlo and time-driven molecular dynamics. Additionally, we allow for a nonvanishing rate of deformation of the boundary, which can be used to model macroscopic strain and also alleviate boundary effects for small systems. In the second part of this series of papers we specialize the algorithm to systems of ellipses and ellipsoids and present performance results for our implementation, demonstrating the practical utility of the algorithm. ∗ Electronic address: [email protected] 1 I. -
Eyring Activation Energy Analysis of Acetic Anhydride Hydrolysis in Acetonitrile Cosolvent Systems Nathan Mitchell East Tennessee State University
East Tennessee State University Digital Commons @ East Tennessee State University Electronic Theses and Dissertations Student Works 5-2018 Eyring Activation Energy Analysis of Acetic Anhydride Hydrolysis in Acetonitrile Cosolvent Systems Nathan Mitchell East Tennessee State University Follow this and additional works at: https://dc.etsu.edu/etd Part of the Analytical Chemistry Commons Recommended Citation Mitchell, Nathan, "Eyring Activation Energy Analysis of Acetic Anhydride Hydrolysis in Acetonitrile Cosolvent Systems" (2018). Electronic Theses and Dissertations. Paper 3430. https://dc.etsu.edu/etd/3430 This Thesis - Open Access is brought to you for free and open access by the Student Works at Digital Commons @ East Tennessee State University. It has been accepted for inclusion in Electronic Theses and Dissertations by an authorized administrator of Digital Commons @ East Tennessee State University. For more information, please contact [email protected]. Eyring Activation Energy Analysis of Acetic Anhydride Hydrolysis in Acetonitrile Cosolvent Systems ________________________ A thesis presented to the faculty of the Department of Chemistry East Tennessee State University In partial fulfillment of the requirements for the degree Master of Science in Chemistry ______________________ by Nathan Mitchell May 2018 _____________________ Dr. Dane Scott, Chair Dr. Greg Bishop Dr. Marina Roginskaya Keywords: Thermodynamic Analysis, Hydrolysis, Linear Solvent Energy Relationships, Cosolvent Systems, Acetonitrile ABSTRACT Eyring Activation Energy Analysis of Acetic Anhydride Hydrolysis in Acetonitrile Cosolvent Systems by Nathan Mitchell Acetic anhydride hydrolysis in water is considered a standard reaction for investigating activation energy parameters using cosolvents. Hydrolysis in water/acetonitrile cosolvent is monitored by measuring pH vs. time at temperatures from 15.0 to 40.0 °C and mole fraction of water from 1 to 0.750. -
Equipartition of Energy
Equipartition of Energy The number of degrees of freedom can be defined as the minimum number of independent coordinates, which can specify the configuration of the system completely. (A degree of freedom of a system is a formal description of a parameter that contributes to the state of a physical system.) The position of a rigid body in space is defined by three components of translation and three components of rotation, which means that it has six degrees of freedom. The degree of freedom of a system can be viewed as the minimum number of coordinates required to specify a configuration. Applying this definition, we have: • For a single particle in a plane two coordinates define its location so it has two degrees of freedom; • A single particle in space requires three coordinates so it has three degrees of freedom; • Two particles in space have a combined six degrees of freedom; • If two particles in space are constrained to maintain a constant distance from each other, such as in the case of a diatomic molecule, then the six coordinates must satisfy a single constraint equation defined by the distance formula. This reduces the degree of freedom of the system to five, because the distance formula can be used to solve for the remaining coordinate once the other five are specified. The equipartition theorem relates the temperature of a system with its average energies. The original idea of equipartition was that, in thermal equilibrium, energy is shared equally among all of its various forms; for example, the average kinetic energy per degree of freedom in the translational motion of a molecule should equal that of its rotational motions.