Energy required to beak a chemical bond, almost same amount of energy is used to form the same bond between reactants. Bond energies can be used to predict exothermic and endothermic nature of chemical reactions
1. The document discusses orbital hybridization and bonding in methane, ethane, ethylene, and acetylene. It explains how orbital hybridization of the carbon atoms' orbitals allows them to form the observed bonding arrangements in a way consistent with electron configuration.
2. Specifically, it describes how sp3 hybridization of carbon in methane results in four equivalent orbitals that form tetrahedral bonding. Sp3 hybridization is also used to explain the bonding in ethane.
3. Sp2 hybridization is used to explain the planar structure and bonding of ethylene, including the σ and π bonds of the carbon-carbon double bond.
4. Acetylene is described using sp
The VSEPR (Valence Shell Electron Pair Repulsion) theory predicts molecular geometry based on electron pair repulsion. The shape is determined by drawing a Lewis diagram and counting bonding and non-bonding electron pairs. Common molecular shapes include tetrahedral for 4 electron pairs, trigonal pyramidal for 3 bonds and 1 lone pair, bent for 2 bonds and 2 lone pairs, and trigonal planar for 3 bonds. Angles vary based on number of lone pairs. Examples of molecular shapes are given for molecules like CH4, NH3, H2O, PF5 and SF6.
This document summarizes key information about alkenes (olefins):
1) Alkenes contain carbon-carbon double bonds and are classified as unsaturated hydrocarbons. Common examples include ethylene and propene.
2) Alkenes undergo characteristic reactions such as addition of halogens, hydrogenation to form alkanes, hydration and polymerization. Many of these reactions follow Markovnikov's rule.
3) Alkenes are industrially important as monomers for polymers like polyethylene, polypropylene, PVC and polystyrene. Ethylene and propylene are the largest volume organic chemicals produced.
This document discusses chemical equilibrium, including definitions, characteristics, and factors that affect equilibrium. It defines chemical equilibrium as a state where the forward and reverse reaction rates are equal. Characteristics include the dynamic nature of equilibrium and constant concentrations of reactants and products at equilibrium. Factors that affect equilibrium position include concentration, pressure, temperature, and catalyst additions according to Le Chatelier's principle. The relationship between the equilibrium constant K and standard Gibbs free energy change ΔG° is also described.
This document provides an overview of physical chemistry and its branches, which include thermodynamics, quantum chemistry, statistical mechanics, and kinetics. It discusses various concepts in physical chemistry such as thermodynamic systems and properties, the laws of thermodynamics, entropy, Gibbs free energy, and thermodynamic calculations. Key areas covered are the branches of physical chemistry and why it is important for chemical engineers, as well as explanations of concepts like thermodynamic equilibrium, state functions, and the measurement of temperature.
The document discusses various thermodynamic concepts including:
1) Reversible and irreversible processes, with reversible processes proceeding in both directions and irreversible only proceeding in one direction.
2) Extensive and intensive properties, with extensive depending on amount and intensive independent of amount.
3) Types of processes like isothermal, isobaric, isochoric, cyclic, and adiabatic classified based on constant temperature, pressure, volume, state functions, and no heat transfer.
4) First law of thermodynamics stating energy is conserved and can be converted between forms.
5) Free energy and how it relates to available work for a system.
This document discusses bond energy and how it relates to chemical reactions. It states that bond breaking is endothermic while bond formation is exothermic. Bond energies can be used to calculate the change in enthalpy (ΔH°) of a reaction. A table of average bond energies is provided. Examples are given showing how to use bond energies to calculate ΔH° for different reactions, recognizing that bond energies may vary depending on neighboring bonds. Bond dissociation energy is also introduced as another measure of bond strength.
1) Enthalpy is a measure of the heat absorbed or released during a chemical reaction at constant pressure. It is equal to the change in internal energy of the system plus the product of pressure and change in volume.
2) The standard enthalpy change of a reaction is the enthalpy change that occurs under standard state conditions of 1 atm pressure and 25°C temperature.
3) Standard enthalpy changes of formation, combustion, atomization, neutralization, and solution can be defined based on specific chemical processes occurring under standard state conditions.
1. The document discusses orbital hybridization and bonding in methane, ethane, ethylene, and acetylene. It explains how orbital hybridization of the carbon atoms' orbitals allows them to form the observed bonding arrangements in a way consistent with electron configuration.
2. Specifically, it describes how sp3 hybridization of carbon in methane results in four equivalent orbitals that form tetrahedral bonding. Sp3 hybridization is also used to explain the bonding in ethane.
3. Sp2 hybridization is used to explain the planar structure and bonding of ethylene, including the σ and π bonds of the carbon-carbon double bond.
4. Acetylene is described using sp
The VSEPR (Valence Shell Electron Pair Repulsion) theory predicts molecular geometry based on electron pair repulsion. The shape is determined by drawing a Lewis diagram and counting bonding and non-bonding electron pairs. Common molecular shapes include tetrahedral for 4 electron pairs, trigonal pyramidal for 3 bonds and 1 lone pair, bent for 2 bonds and 2 lone pairs, and trigonal planar for 3 bonds. Angles vary based on number of lone pairs. Examples of molecular shapes are given for molecules like CH4, NH3, H2O, PF5 and SF6.
This document summarizes key information about alkenes (olefins):
1) Alkenes contain carbon-carbon double bonds and are classified as unsaturated hydrocarbons. Common examples include ethylene and propene.
2) Alkenes undergo characteristic reactions such as addition of halogens, hydrogenation to form alkanes, hydration and polymerization. Many of these reactions follow Markovnikov's rule.
3) Alkenes are industrially important as monomers for polymers like polyethylene, polypropylene, PVC and polystyrene. Ethylene and propylene are the largest volume organic chemicals produced.
This document discusses chemical equilibrium, including definitions, characteristics, and factors that affect equilibrium. It defines chemical equilibrium as a state where the forward and reverse reaction rates are equal. Characteristics include the dynamic nature of equilibrium and constant concentrations of reactants and products at equilibrium. Factors that affect equilibrium position include concentration, pressure, temperature, and catalyst additions according to Le Chatelier's principle. The relationship between the equilibrium constant K and standard Gibbs free energy change ΔG° is also described.
This document provides an overview of physical chemistry and its branches, which include thermodynamics, quantum chemistry, statistical mechanics, and kinetics. It discusses various concepts in physical chemistry such as thermodynamic systems and properties, the laws of thermodynamics, entropy, Gibbs free energy, and thermodynamic calculations. Key areas covered are the branches of physical chemistry and why it is important for chemical engineers, as well as explanations of concepts like thermodynamic equilibrium, state functions, and the measurement of temperature.
The document discusses various thermodynamic concepts including:
1) Reversible and irreversible processes, with reversible processes proceeding in both directions and irreversible only proceeding in one direction.
2) Extensive and intensive properties, with extensive depending on amount and intensive independent of amount.
3) Types of processes like isothermal, isobaric, isochoric, cyclic, and adiabatic classified based on constant temperature, pressure, volume, state functions, and no heat transfer.
4) First law of thermodynamics stating energy is conserved and can be converted between forms.
5) Free energy and how it relates to available work for a system.
This document discusses bond energy and how it relates to chemical reactions. It states that bond breaking is endothermic while bond formation is exothermic. Bond energies can be used to calculate the change in enthalpy (ΔH°) of a reaction. A table of average bond energies is provided. Examples are given showing how to use bond energies to calculate ΔH° for different reactions, recognizing that bond energies may vary depending on neighboring bonds. Bond dissociation energy is also introduced as another measure of bond strength.
1) Enthalpy is a measure of the heat absorbed or released during a chemical reaction at constant pressure. It is equal to the change in internal energy of the system plus the product of pressure and change in volume.
2) The standard enthalpy change of a reaction is the enthalpy change that occurs under standard state conditions of 1 atm pressure and 25°C temperature.
3) Standard enthalpy changes of formation, combustion, atomization, neutralization, and solution can be defined based on specific chemical processes occurring under standard state conditions.
The document summarizes Valence Shell Electron Pair Repulsion (VSEPR) Theory. [1] VSEPR Theory predicts molecular geometry based on electron pair repulsion around a central atom. [2] The theory states that electron pairs around an atom will position themselves as far apart as possible to minimize repulsion. [3] Molecular geometry can be determined by counting the number of electron pairs and their arrangement around the central atom.
Hydrogen bonding occurs when a hydrogen atom bonded to a highly electronegative atom such as nitrogen, oxygen or fluorine interacts with another electronegative atom. This leads to compounds having higher boiling points than expected due to the need to overcome hydrogen bonding interactions. Hydrogen bonding plays important roles in determining the structure of materials like DNA and proteins and was also utilized in the hydrogen bomb to dramatically increase its explosive yield.
Collision theory proposes that for a chemical reaction to occur, reactant molecules must collide with sufficient energy to overcome an activation energy barrier. The rate of reaction is directly proportional to the collision frequency and a fraction of effective collisions. However, collision theory fails to explain several observed reaction rates and does not account for molecular orientations or internal motions. Modifications were made to incorporate effective collision probability but correlations between this factor and reaction characteristics remain unclear.
Bonding and Antibonding interactions; Idea about σ, σ*, π, π *, n – MOs; HOMO, LUMO and SOMO; Energy levels of π MOs of different conjugated acyclic and cyclic systems; Hückel’s rules for aromaticity; Frost diagram
This document provides an overview of alkynes, including their structure, nomenclature, properties, reactions, and synthesis. Key points include:
- Alkynes contain a triple bond consisting of two pi bonds and one sigma bond, giving them a linear structure.
- They undergo addition reactions due to their relatively weak pi bonds. Common additions include hydrohalogenation, hydration, halogenation, and hydroboration-oxidation.
- Acetylide ions, formed by deprotonation of terminal alkynes, are strong nucleophiles that react through substitution and addition reactions.
The document discusses Hess's law, which states that the heat of reaction is the same whether a chemical process occurs in one or multiple steps. Specifically:
- Hess's law allows adding together multiple chemical equations to determine the enthalpy change of the overall equation.
- Two examples are provided to demonstrate calculating the enthalpy change of an overall reaction by combining individual reaction enthalpies.
- In both examples, the individual reactions are rearranged and combined to produce the overall reaction, and the enthalpy terms are summed to find the enthalpy change of the overall reaction.
This document provides an overview of chemical kinetics and reaction rates. It defines chemical kinetics as the study of rates of chemical reactions, and explains that the rate of a reaction is defined as the change in concentration of a reactant or product over time. It then discusses reaction orders, rate laws, rate constants, and how temperature affects reaction rates. The document uses examples to show how to determine the order of reactions and calculate rate constants from experimental data. It also explains zero-order, first-order, and second-order reactions through graphs and equations. Overall, the document provides a comprehensive introduction to the key concepts and calculations involved in chemical kinetics.
Hess's Law With Importance and ApplicationTahirAziz48
This presentation discusses Hess's law, which states that the enthalpy change for a chemical reaction is constant regardless of the pathway taken to get to the products. Hess's law is based on enthalpy being a state function. The presentation provides examples of using Hess's law to calculate enthalpy changes for physical changes like graphite to diamond conversion and chemical reactions like hydrogen iodide formation and benzene formation. Hess's law allows determining enthalpy changes for reactions that cannot be measured directly.
1. Hydrogen bonding occurs when a hydrogen atom bonded to an electronegative atom like nitrogen, oxygen or fluorine interacts with another electronegative atom via electrostatic attraction between the hydrogen and the lone pair of electrons.
2. This leads to higher boiling points and enthalpies of vaporization for compounds that can form multiple hydrogen bonds like water. It also allows for the formation of structures like DNA base pairs and protein secondary structures.
3. Hydrogen bonding plays important roles in determining physical properties of compounds and enabling key biological molecules like DNA and proteins to form their functional three-dimensional structures.
This chapter discusses alkynes, carbon-carbon triple bonds. Alkynes contain two pi bonds and have the general formula CnH2n-2. They can be named using IUPAC nomenclature by changing the -ane ending of the parent alkane to -yne. Alkynes undergo addition reactions like alkenes but also have unique reactions like forming acetylide ions. They can be synthesized through elimination and by reactions of acetylide ions. Oxidation and ozonolysis reactions of alkynes cleave the triple bond.
This document discusses the concept of hyperconjugation, which involves the delocalization of sigma electrons from an adjacent C-H bond into an empty p-orbital of an unsaturated system like an alkene or benzene ring. This effect increases the stability of alkenes and carbocations with more alkyl substituents by allowing for additional no bond resonance structures. The stability of alkenes and carbocations increases with the number of alkyl groups due to greater hyperconjugative stabilization from more C-H bonds. Hyperconjugation is an important effect that helps explain the observed stability and reactivity patterns of unsaturated organic compounds.
1. The document discusses chemical equilibrium, including the concepts of equilibrium, depicting equilibrium reactions with equations, the equilibrium constant K, and how the value of K relates to whether a reaction favors reactants or products.
2. It also covers heterogeneous equilibria involving solids or liquids, how the concentrations of solids and liquids do not appear in equilibrium expressions, and examples of heterogeneous equilibrium reactions like the decomposition of calcium carbonate.
3. The key aspects covered are the definition of chemical equilibrium as when forward and reverse reactions proceed at the same rate, the use of concentration ratios and partial pressures to define equilibrium constants Kc and Kp, and how heterogeneous reactions involve gases in equilibrium with solids or liquids.
1) Collision theory states that reactions only occur when reactant molecules collide with sufficient kinetic energy to overcome the activation energy barrier. Only a small fraction of collisions result in reaction due to the requirement of proper orientation.
2) Transition state theory proposes that reactions proceed via an unstable intermediate transition state complex. The rate of reaction depends on the concentration of this transition state and its vibration frequency as it converts to products.
3) Both theories aim to explain reaction rates but collision theory applies to gas phase reactions while transition state theory can be used to determine rates of elementary reactions through various states.
Methods of Determining Reaction Mechanisms - Andria D'SouzaBebeto G
This document discusses various methods used to determine reaction mechanisms, including isotopic labeling techniques, stereochemical evidence, crossover experiments, identification of products, and identification of reaction intermediates. Isotopic labeling involves replacing atoms with isotopes like deuterium or carbon-13 to follow the reaction path. Stereochemical evidence from chiral reactants and products can indicate SN1 or SN2 mechanisms. Crossover experiments use non-identical reactants to study intramolecular vs intermolecular rearrangements. Identification of products and intermediates through spectroscopy, isolation, or trapping with reagents provides clues about reaction steps.
Rate of reaction,Order of Reaction,Molecularity of Reaction,Zero Order Reactions,First Order Reactions, Half life of reactuion ,Sequential Reactions,Arrhenius Equation,Temperature Coefficient,Collision Theory of Reaction Rate,Radioactivity
This document discusses coordination compounds and Werner's theory of coordination compounds. It provides details on:
- Coordination compounds are molecular compounds where a central metal atom is bound to surrounding ligands by dative bonds.
- Werner's theory successfully explained the structure and bonding in coordination compounds using the concept of primary and secondary valencies on the metal center.
- Some limitations of Werner's theory are that it does not explain factors influencing complex stability or the directional properties of bonds in complexes.
The document discusses reaction rates and kinetics. It defines factors that affect reaction rates such as concentration of reactants, physical state, temperature, and catalysts. It also describes methods for determining reaction rates by measuring changes in concentration over time. Rate laws relate the rate of reaction to concentrations of reactants through rate constants and reaction orders. Integrated rate laws can be used to determine concentrations of reactants over time for reactions of different orders.
The document introduces free energy functions such as Helmholtz energy and Gibbs free energy. It discusses how these functions can be used to express spontaneity criteria for systems under different constraints of temperature and volume or pressure. Specifically, it describes how Helmholtz energy applies for constant temperature and volume, while Gibbs free energy applies for constant temperature and pressure. The document also examines physical interpretations and relationships between the different free energy functions and how they vary with respect to temperature, volume, and pressure.
This document provides an introduction to molecular orbital theory (MOT), which describes bonding between atoms using molecular orbitals formed from the combination of atomic orbitals. MOT allows prediction of electron distribution, molecular properties like shape and magnetism, and bond order strength. Principles of MOT include molecular orbitals having lower energy than separated atoms, causing electrons to prefer molecular bonds. Sigma and pi bonds are discussed, with sigma bonds symmetrical along the axis and pi bonds having side-by-side overlap with electron density above and below the axis. Bond order is calculated using the number of electrons in bonding and antibonding orbitals and indicates bond strength, with higher bond order meaning stronger, more stable bonds.
This document outlines the key concepts and objectives to be covered in a thermochemistry unit. It will discuss energy changes in chemical reactions through bond breaking and forming. Students should be able to explain exothermic and endothermic reactions using energy diagrams and bond energies. They will learn how to calculate enthalpy changes using calorimetry data and bond dissociation energies. The effects of ionic charge and radius on lattice energy will also be explained.
The document discusses bond energies and calculating enthalpy changes for chemical reactions. It explains that breaking bonds is endothermic while forming bonds is exothermic. The enthalpy change of a reaction is the difference between the energy required to break bonds in reactants and the energy released in forming bonds in products. While bond dissociation energies are straightforward for diatomic molecules, polyatomic molecules have varying bond strengths depending on molecular environment. Average bond energies are used in calculations, though there is some error. Reactions must involve gases. The document then works through calculating the enthalpy change for a sample reaction using given bond energies.
The document summarizes Valence Shell Electron Pair Repulsion (VSEPR) Theory. [1] VSEPR Theory predicts molecular geometry based on electron pair repulsion around a central atom. [2] The theory states that electron pairs around an atom will position themselves as far apart as possible to minimize repulsion. [3] Molecular geometry can be determined by counting the number of electron pairs and their arrangement around the central atom.
Hydrogen bonding occurs when a hydrogen atom bonded to a highly electronegative atom such as nitrogen, oxygen or fluorine interacts with another electronegative atom. This leads to compounds having higher boiling points than expected due to the need to overcome hydrogen bonding interactions. Hydrogen bonding plays important roles in determining the structure of materials like DNA and proteins and was also utilized in the hydrogen bomb to dramatically increase its explosive yield.
Collision theory proposes that for a chemical reaction to occur, reactant molecules must collide with sufficient energy to overcome an activation energy barrier. The rate of reaction is directly proportional to the collision frequency and a fraction of effective collisions. However, collision theory fails to explain several observed reaction rates and does not account for molecular orientations or internal motions. Modifications were made to incorporate effective collision probability but correlations between this factor and reaction characteristics remain unclear.
Bonding and Antibonding interactions; Idea about σ, σ*, π, π *, n – MOs; HOMO, LUMO and SOMO; Energy levels of π MOs of different conjugated acyclic and cyclic systems; Hückel’s rules for aromaticity; Frost diagram
This document provides an overview of alkynes, including their structure, nomenclature, properties, reactions, and synthesis. Key points include:
- Alkynes contain a triple bond consisting of two pi bonds and one sigma bond, giving them a linear structure.
- They undergo addition reactions due to their relatively weak pi bonds. Common additions include hydrohalogenation, hydration, halogenation, and hydroboration-oxidation.
- Acetylide ions, formed by deprotonation of terminal alkynes, are strong nucleophiles that react through substitution and addition reactions.
The document discusses Hess's law, which states that the heat of reaction is the same whether a chemical process occurs in one or multiple steps. Specifically:
- Hess's law allows adding together multiple chemical equations to determine the enthalpy change of the overall equation.
- Two examples are provided to demonstrate calculating the enthalpy change of an overall reaction by combining individual reaction enthalpies.
- In both examples, the individual reactions are rearranged and combined to produce the overall reaction, and the enthalpy terms are summed to find the enthalpy change of the overall reaction.
This document provides an overview of chemical kinetics and reaction rates. It defines chemical kinetics as the study of rates of chemical reactions, and explains that the rate of a reaction is defined as the change in concentration of a reactant or product over time. It then discusses reaction orders, rate laws, rate constants, and how temperature affects reaction rates. The document uses examples to show how to determine the order of reactions and calculate rate constants from experimental data. It also explains zero-order, first-order, and second-order reactions through graphs and equations. Overall, the document provides a comprehensive introduction to the key concepts and calculations involved in chemical kinetics.
Hess's Law With Importance and ApplicationTahirAziz48
This presentation discusses Hess's law, which states that the enthalpy change for a chemical reaction is constant regardless of the pathway taken to get to the products. Hess's law is based on enthalpy being a state function. The presentation provides examples of using Hess's law to calculate enthalpy changes for physical changes like graphite to diamond conversion and chemical reactions like hydrogen iodide formation and benzene formation. Hess's law allows determining enthalpy changes for reactions that cannot be measured directly.
1. Hydrogen bonding occurs when a hydrogen atom bonded to an electronegative atom like nitrogen, oxygen or fluorine interacts with another electronegative atom via electrostatic attraction between the hydrogen and the lone pair of electrons.
2. This leads to higher boiling points and enthalpies of vaporization for compounds that can form multiple hydrogen bonds like water. It also allows for the formation of structures like DNA base pairs and protein secondary structures.
3. Hydrogen bonding plays important roles in determining physical properties of compounds and enabling key biological molecules like DNA and proteins to form their functional three-dimensional structures.
This chapter discusses alkynes, carbon-carbon triple bonds. Alkynes contain two pi bonds and have the general formula CnH2n-2. They can be named using IUPAC nomenclature by changing the -ane ending of the parent alkane to -yne. Alkynes undergo addition reactions like alkenes but also have unique reactions like forming acetylide ions. They can be synthesized through elimination and by reactions of acetylide ions. Oxidation and ozonolysis reactions of alkynes cleave the triple bond.
This document discusses the concept of hyperconjugation, which involves the delocalization of sigma electrons from an adjacent C-H bond into an empty p-orbital of an unsaturated system like an alkene or benzene ring. This effect increases the stability of alkenes and carbocations with more alkyl substituents by allowing for additional no bond resonance structures. The stability of alkenes and carbocations increases with the number of alkyl groups due to greater hyperconjugative stabilization from more C-H bonds. Hyperconjugation is an important effect that helps explain the observed stability and reactivity patterns of unsaturated organic compounds.
1. The document discusses chemical equilibrium, including the concepts of equilibrium, depicting equilibrium reactions with equations, the equilibrium constant K, and how the value of K relates to whether a reaction favors reactants or products.
2. It also covers heterogeneous equilibria involving solids or liquids, how the concentrations of solids and liquids do not appear in equilibrium expressions, and examples of heterogeneous equilibrium reactions like the decomposition of calcium carbonate.
3. The key aspects covered are the definition of chemical equilibrium as when forward and reverse reactions proceed at the same rate, the use of concentration ratios and partial pressures to define equilibrium constants Kc and Kp, and how heterogeneous reactions involve gases in equilibrium with solids or liquids.
1) Collision theory states that reactions only occur when reactant molecules collide with sufficient kinetic energy to overcome the activation energy barrier. Only a small fraction of collisions result in reaction due to the requirement of proper orientation.
2) Transition state theory proposes that reactions proceed via an unstable intermediate transition state complex. The rate of reaction depends on the concentration of this transition state and its vibration frequency as it converts to products.
3) Both theories aim to explain reaction rates but collision theory applies to gas phase reactions while transition state theory can be used to determine rates of elementary reactions through various states.
Methods of Determining Reaction Mechanisms - Andria D'SouzaBebeto G
This document discusses various methods used to determine reaction mechanisms, including isotopic labeling techniques, stereochemical evidence, crossover experiments, identification of products, and identification of reaction intermediates. Isotopic labeling involves replacing atoms with isotopes like deuterium or carbon-13 to follow the reaction path. Stereochemical evidence from chiral reactants and products can indicate SN1 or SN2 mechanisms. Crossover experiments use non-identical reactants to study intramolecular vs intermolecular rearrangements. Identification of products and intermediates through spectroscopy, isolation, or trapping with reagents provides clues about reaction steps.
Rate of reaction,Order of Reaction,Molecularity of Reaction,Zero Order Reactions,First Order Reactions, Half life of reactuion ,Sequential Reactions,Arrhenius Equation,Temperature Coefficient,Collision Theory of Reaction Rate,Radioactivity
This document discusses coordination compounds and Werner's theory of coordination compounds. It provides details on:
- Coordination compounds are molecular compounds where a central metal atom is bound to surrounding ligands by dative bonds.
- Werner's theory successfully explained the structure and bonding in coordination compounds using the concept of primary and secondary valencies on the metal center.
- Some limitations of Werner's theory are that it does not explain factors influencing complex stability or the directional properties of bonds in complexes.
The document discusses reaction rates and kinetics. It defines factors that affect reaction rates such as concentration of reactants, physical state, temperature, and catalysts. It also describes methods for determining reaction rates by measuring changes in concentration over time. Rate laws relate the rate of reaction to concentrations of reactants through rate constants and reaction orders. Integrated rate laws can be used to determine concentrations of reactants over time for reactions of different orders.
The document introduces free energy functions such as Helmholtz energy and Gibbs free energy. It discusses how these functions can be used to express spontaneity criteria for systems under different constraints of temperature and volume or pressure. Specifically, it describes how Helmholtz energy applies for constant temperature and volume, while Gibbs free energy applies for constant temperature and pressure. The document also examines physical interpretations and relationships between the different free energy functions and how they vary with respect to temperature, volume, and pressure.
This document provides an introduction to molecular orbital theory (MOT), which describes bonding between atoms using molecular orbitals formed from the combination of atomic orbitals. MOT allows prediction of electron distribution, molecular properties like shape and magnetism, and bond order strength. Principles of MOT include molecular orbitals having lower energy than separated atoms, causing electrons to prefer molecular bonds. Sigma and pi bonds are discussed, with sigma bonds symmetrical along the axis and pi bonds having side-by-side overlap with electron density above and below the axis. Bond order is calculated using the number of electrons in bonding and antibonding orbitals and indicates bond strength, with higher bond order meaning stronger, more stable bonds.
This document outlines the key concepts and objectives to be covered in a thermochemistry unit. It will discuss energy changes in chemical reactions through bond breaking and forming. Students should be able to explain exothermic and endothermic reactions using energy diagrams and bond energies. They will learn how to calculate enthalpy changes using calorimetry data and bond dissociation energies. The effects of ionic charge and radius on lattice energy will also be explained.
The document discusses bond energies and calculating enthalpy changes for chemical reactions. It explains that breaking bonds is endothermic while forming bonds is exothermic. The enthalpy change of a reaction is the difference between the energy required to break bonds in reactants and the energy released in forming bonds in products. While bond dissociation energies are straightforward for diatomic molecules, polyatomic molecules have varying bond strengths depending on molecular environment. Average bond energies are used in calculations, though there is some error. Reactions must involve gases. The document then works through calculating the enthalpy change for a sample reaction using given bond energies.
- Chemical reactions involve breaking old bonds and forming new ones. Bond breaking requires energy and is endothermic, while bond formation releases energy and is exothermic.
- The bond energies table lists the average energy required to break common types of bonds. However, bond energies can vary depending on neighboring bonds.
- Reaction enthalpy change (ΔH) can be calculated by adding the bond energies of reactants and subtracting the bond energies of products. This was demonstrated for combustion reactions of ethanol and methoxymethane.
All chemical reactions involve breaking old bonds and forming new ones. Bond breaking is endothermic as it requires energy, while bond formation is exothermic as it releases energy. The heat absorbed or released in a reaction comes from the breaking and forming of chemical bonds. The greater the bond energy, the stronger the bond. Bond energies can be used to calculate the enthalpy change (ΔH) of a reaction by adding the bond energies of reactants and subtracting the bond energies of products.
The document discusses energy changes that occur during chemical reactions. It provides information on:
1) Exothermic reactions release energy when bonds form, while endothermic reactions absorb energy to break bonds.
2) The energy change of a reaction can be calculated by adding the bond energies of bonds broken and subtracting the bond energies of bonds formed.
3) Reaction A+B increased in temperature, indicating it was exothermic since more energy was released in bond formation than absorbed in bond breaking.
This document discusses bond energy and how it relates to chemical reactions. It states that bond breaking is endothermic while bond formation is exothermic. A table of average bond energies is provided. The bond energies can be used to calculate the change in enthalpy (ΔH°) of reactions. Examples are given showing how to set up calculations using bond energies to find the ΔH° of reactions, including combustion reactions of ethanol and methoxymethane. Bond dissociation energy is also introduced as another measure of bond strength.
Chemical reactions involve energy changes that can be calculated using bond energies. Bond breaking requires energy input (endothermic) while bond forming releases energy (exothermic). The overall energy change of a reaction (ΔH) can be determined by subtracting the energy released in bond forming from the energy required for bond breaking using reaction profile diagrams. For example, the reaction of hydrogen and chlorine to form hydrogen chloride is exothermic with an overall ΔH of -184 kJ/mol due to more energy being released upon H-Cl bond formation than absorbed to break original H-H and Cl-Cl bonds.
The document summarizes key concepts related to the study of chemical reactions including mechanism, thermodynamics, kinetics, free radical chain reactions, and the chlorination of methane reaction. It discusses the three steps of initiation, propagation, and termination in free radical chain reactions. Thermodynamics concepts like equilibrium constants, Gibbs free energy, enthalpy, entropy, and bond dissociation energies are explained. The kinetics of reactions including rate equations, reaction orders, and the Arrhenius equation are also summarized.
Chapter 05 an overview of organic reactions.Wong Hsiung
This document provides an overview of organic reactions, including the different types of organic reactions and how reaction mechanisms are used to describe the steps involved in organic reactions. It discusses several key aspects of organic reactions, including: 1) the common types of organic reactions such as addition, elimination, substitution, and rearrangement reactions, 2) how reaction mechanisms are used to describe the individual steps that occur in organic reactions, from reactants to products, and 3) the different types of steps that can be involved in reaction mechanisms, including the formation and breaking of covalent bonds. It also provides examples of reaction mechanisms, such as the addition of HBr to ethylene.
This document summarizes different types of chemical bonds including ionic bonds, covalent bonds, and polar covalent bonds. It discusses bond energy, electronegativity, dipole moments, and Lewis structures. Key concepts covered include how ionic bonds form between a metal and nonmetal, how covalent bonds share electron pairs, and how polar covalent bonds have unequal electron sharing.
The document discusses exothermic and endothermic reactions. Exothermic reactions give out energy, have products with less energy than reactants, and have a negative ∆H. Endothermic reactions take in energy, have products with more energy than reactants, and have a positive ∆H. The document also shows how to calculate ∆H using bond energies of reactants and products.
This document provides an overview of key concepts in chemical energetics, including:
1. Enthalpy change (ΔH) describes the energy stored in or released by a chemical reaction. Exothermic reactions (negative ΔH) release energy while endothermic reactions (positive ΔH) absorb energy.
2. Standard enthalpy changes (ΔH°) are used to calculate the enthalpy change of a reaction using Hess's law and reaction pathways.
3. Entropy (ΔS) describes the disorder of a system, which increases in state changes from solid to liquid to gas. Reactions favoring more gaseous products have a positive ΔS.
4. Gibbs
The document discusses different types of chemical bonds including ionic bonds, covalent bonds, and polar covalent bonds. It describes how ionic bonds form between a metal and nonmetal when electrons are transferred, covalent bonds form through shared electron pairs, and polar covalent bonds result in an unequal sharing of electrons. The document also covers bond energies, lattice energies in ionic compounds, electronegativity, and molecular polarity.
The physical state of matter is determined by two main factors: intermolecular forces and thermal energy. Intermolecular forces, such as van der Waals forces, influence boiling points and melting points by holding molecules together in solids and liquids. Thermal energy in the form of temperature influences the kinetic energy of particles, allowing them to overcome intermolecular forces and change state, such as from solid to liquid to gas. Different intermolecular forces include hydrogen bonding, dipole-dipole interactions, and London dispersion forces.
Isotopes are two atoms of the same element that have the same number of protons but different numbers of neutrons. Isotopes are specified by the mass number.
This document discusses molecular shapes and Lewis structures. It begins by introducing Lewis structures and how to draw them for different types of molecules. It then discusses valence shell electron pair repulsion (VSEPR) theory, which is used to predict molecular geometry from electron pair arrangements. Several examples are provided of applying VSEPR theory to determine molecular shapes. Bond energies are also introduced and used to calculate enthalpy changes in chemical reactions.
This document discusses different types of chemical bonds including ionic bonds, covalent bonds, and polar covalent bonds. It explains how ionic bonds form between a metal and nonmetal when electrons are transferred, covalent bonds form through shared electron pairs, and polar covalent bonds result from unequal electron sharing. The document also covers bond energies, dipole moments, electronegativity, and Lewis structures.
The document describes two experiments where solids were dissolved in water and the temperature was measured before and after. In the first experiment, dissolving sodium hydroxide caused the temperature to increase, indicating an exothermic reaction where heat is released. In the second experiment, dissolving ammonium chloride caused the temperature to decrease, indicating an endothermic reaction where heat is absorbed. Chemical reactions can be classified as exothermic or endothermic depending on whether heat is released or absorbed during the reaction.
3rd Lecture on Chemical Thermodynamics | Chemistry Part I | 12th StdAnsari Usama
1) Thermochemistry deals with enthalpy changes in chemical reactions. The enthalpy change of a reaction (ΔrH) is equal to the sum of the enthalpies of the products minus the sum of the enthalpies of the reactants.
2) Reactions are classified as exothermic if ΔrH is negative, meaning heat is released, or endothermic if ΔrH is positive, meaning heat is absorbed.
3) Hess's law states that the overall enthalpy change of a reaction is equal to the sum of the enthalpy changes of the individual steps in the reaction.
Taxes imposed on the earnings of organizations and individuals are income taxes. Marginal tax rate and flat tax rate. Marginal tax rates are harmful to the economy.
The money returned to the owners of capital for use of their capital.
Compound interest is the result of reinvesting interest, rather than paying it out.
Quotation of interest rates
This document discusses various methods for evaluating project profitability and investment decisions. It describes quantitative measures like return on investment, return on average investment, payback period, net present worth, and internal rate of return. It also discusses qualitative, intangible factors like employee morale, safety, corporate image, and management goals. The document provides definitions and limitations of different profitability measures. It categorizes project types and notes profitability is difficult to define but important for decision making and maximizing returns on investment.
Tax is a mandatory financial charge, Property taxes, Excise taxes, Income taxes. Capital-gains tax is levied on profits made from the sale of capital assets. Self-insurance is a risk management method
Operating labour, allow one extra man on days. It is unlikely
that one extra man per shift would be needed to operate
this small plant, and one extra per shift would give
a disproportionately high labour cost.
The document outlines various indirect costs associated with purchasing miscellaneous equipment, including design and engineering costs estimated at 20-30% of direct capital costs, contractor's fees of 5-10% of direct capital costs, and a contingency allowance of 5-10% for issues like labor disputes or weather. The total physical plant cost is the sum of direct costs and these indirect costs.
The document summarizes the components and cost factors involved in purchasing plate and packed towers for mass transfer equipment. The purchased cost can be divided into the shell cost, internals cost like trays and packing, and auxiliary costs. The purchased cost is calculated as the bare cost from figures multiplied by a material factor and pressure factor. Figures are provided showing examples of tray types and cross-sectional views of plate and packed towers.
basic information that should be supplied to a fabricator in order to obtain a price estimate or firm quotation on a proposed heat exchanger (Process Information, Mechanical Information)
Manufacturing costs per capital investment.Manufacturing costs are: Variable production costs, fixed charges, and plant-overhead.
Direct and indirect production cost. Plant overhead costs. Administrative costs. Distribution and marketing costs. Research and development costs
Capital cost estimate classifications, Chemical industry. Turnover ratio.
Total product are manufacturing cost and general expenses. product costs are calculated on:
daily basis, unit-of-product basis, or, annual basis
Cost Indices, change in cost over time. Cost indexes are maintained in areas such as construction, chemical and mechanical industries. Lang’s method , Hand method.
Capital needed to supply the necessary manufacturing and
plant facilities. Estimation of capital investment.
Order-of-magnitude estimates, 6-10th's rule, Price indices,
Cash flow, cash flow diagram and industry. Cost estimation is required to provide reliable decisions.Price fluctuations, company policies, governmental regulations
Time value of money is measured by interest rates. Money has time value because it can earn more over time through interest (earning power) and its purchasing power changes with inflation. The present value of a future amount can be calculated using the present value formula, which takes into account the discount rate and number of periods until receipt. As time passes, the value of assets invested in a project will change. Assets are items owned that have future economic benefit and are divided into tangible assets with physical form and intangible assets without physical form.
The document discusses engineering economics and its importance for chemical engineers. It provides three key objectives of engineering economics: 1) to assess the appropriateness of a given project, 2) to estimate its value, and 3) to justify it from an engineering standpoint. The document then analyzes several potential reaction processes for producing vinyl chloride and calculates the gross profit that could be made from each based on raw material and product prices. Reaction 3, which converts ethylene and chlorine into vinyl chloride and hydrogen chloride, is identified as the most profitable option.
Kinetic studies on malachite green dye adsorption from aqueous solutions by A...Open Access Research Paper
Water polluted by dyestuffs compounds is a global threat to health and the environment; accordingly, we prepared a green novel sorbent chemical and Physical system from an algae, chitosan and chitosan nanoparticle and impregnated with algae with chitosan nanocomposite for the sorption of Malachite green dye from water. The algae with chitosan nanocomposite by a simple method and used as a recyclable and effective adsorbent for the removal of malachite green dye from aqueous solutions. Algae, chitosan, chitosan nanoparticle and algae with chitosan nanocomposite were characterized using different physicochemical methods. The functional groups and chemical compounds found in algae, chitosan, chitosan algae, chitosan nanoparticle, and chitosan nanoparticle with algae were identified using FTIR, SEM, and TGADTA/DTG techniques. The optimal adsorption conditions, different dosages, pH and Temperature the amount of algae with chitosan nanocomposite were determined. At optimized conditions and the batch equilibrium studies more than 99% of the dye was removed. The adsorption process data matched well kinetics showed that the reaction order for dye varied with pseudo-first order and pseudo-second order. Furthermore, the maximum adsorption capacity of the algae with chitosan nanocomposite toward malachite green dye reached as high as 15.5mg/g, respectively. Finally, multiple times reusing of algae with chitosan nanocomposite and removing dye from a real wastewater has made it a promising and attractive option for further practical applications.
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The incorporation of a 3DCSM and completion of HRSC provided a tool for enhanced, data-driven, decisions to support a change in remediation closure strategies. Currently, an approved pilot study has been obtained to shut-down the remediation systems (ISCO, P&T) and conduct a hydraulic study under non-pumping conditions. A separate micro-biological bench scale treatability study was competed that yielded positive results for an emerging innovative technology. As a result, a field pilot study has commenced with results expected in nine-twelve months. With the results of the hydraulic study, field pilot studies and an updated risk assessment leading site monitoring optimization cost lifecycle savings upwards of $15MM towards an alternatively evolved best available technology remediation closure strategy.
Improving the viability of probiotics by encapsulation methods for developmen...Open Access Research Paper
The popularity of functional foods among scientists and common people has been increasing day by day. Awareness and modernization make the consumer think better regarding food and nutrition. Now a day’s individual knows very well about the relation between food consumption and disease prevalence. Humans have a diversity of microbes in the gut that together form the gut microflora. Probiotics are the health-promoting live microbial cells improve host health through gut and brain connection and fighting against harmful bacteria. Bifidobacterium and Lactobacillus are the two bacterial genera which are considered to be probiotic. These good bacteria are facing challenges of viability. There are so many factors such as sensitivity to heat, pH, acidity, osmotic effect, mechanical shear, chemical components, freezing and storage time as well which affects the viability of probiotics in the dairy food matrix as well as in the gut. Multiple efforts have been done in the past and ongoing in present for these beneficial microbial population stability until their destination in the gut. One of a useful technique known as microencapsulation makes the probiotic effective in the diversified conditions and maintain these microbe’s community to the optimum level for achieving targeted benefits. Dairy products are found to be an ideal vehicle for probiotic incorporation. It has been seen that the encapsulated microbial cells show higher viability than the free cells in different processing and storage conditions as well as against bile salts in the gut. They make the food functional when incorporated, without affecting the product sensory characteristics.
Optimizing Post Remediation Groundwater Performance with Enhanced Microbiolog...Joshua Orris
Results of geophysics and pneumatic injection pilot tests during 2003 – 2007 yielded significant positive results for injection delivery design and contaminant mass treatment, resulting in permanent shut-down of an existing groundwater Pump & Treat system.
Accessible source areas were subsequently removed (2011) by soil excavation and treated with the placement of Emulsified Vegetable Oil EVO and zero-valent iron ZVI to accelerate treatment of impacted groundwater in overburden and weathered fractured bedrock. Post pilot test and post remediation groundwater monitoring has included analyses of CVOCs, organic fatty acids, dissolved gases and QuantArray® -Chlor to quantify key microorganisms (e.g., Dehalococcoides, Dehalobacter, etc.) and functional genes (e.g., vinyl chloride reductase, methane monooxygenase, etc.) to assess potential for reductive dechlorination and aerobic cometabolism of CVOCs.
In 2022, the first commercial application of MetaArray™ was performed at the site. MetaArray™ utilizes statistical analysis, such as principal component analysis and multivariate analysis to provide evidence that reductive dechlorination is active or even that it is slowing. This creates actionable data allowing users to save money by making important site management decisions earlier.
The results of the MetaArray™ analysis’ support vector machine (SVM) identified groundwater monitoring wells with a 80% confidence that were characterized as either Limited for Reductive Decholorination or had a High Reductive Reduction Dechlorination potential. The results of MetaArray™ will be used to further optimize the site’s post remediation monitoring program for monitored natural attenuation.
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RoHS stands for Restriction of Hazardous Substances, which is also known as the Directive 2002/95/EC. It includes the restrictions for the use of certain hazardous substances in electrical and electronic equipment. RoHS is a WEEE (Waste of Electrical and Electronic Equipment).
1. Bond Energies
Dr. K. Shahzad. Baig
Memorial University of Newfoundland
(MUN), Canada
Petrucci, et al. 2011. General Chemistry: Principles and Modern Applications. Pearson Canada Inc., Toronto, Ontario.
Tro, N.J. 2010. Principles of Chemistry. : a molecular approach. Pearson Education, Inc
2. Bond Energies
Bond dissociation energy, D, is the quantity of energy required to break one mole of
covalent bonds in a gaseous species. The SI units are kJ/mole of bonds.
The bond-dissociation energy can be considered as an enthalpy change or a heat of
reaction
𝐻2 𝑔 → 2𝐻 (𝑔) ∆𝐻 = 𝐷 𝐻 − 𝐻 = +435.93 𝑘𝐽/𝑚𝑜𝑙
2𝐻 𝑔 → 𝐻2 𝑔 ∆𝐻 = −𝐷 𝐻 − 𝐻 = −435.93 𝑘𝐽/𝑚𝑜𝑙
Bond breakage:
Bond formation:
the bond-dissociation energy of a diatomic molecule can be expressed rather precisely, but
with a polyatomic molecule, the situation is different
The energy needed to dissociate one mole of H atoms by breaking one O – H bond per
H2 molecule
𝐻 − 𝑂𝐻 𝑔 → 𝐻 𝑔 + 𝑂𝐻 𝑔 ∆𝐻 = 𝐷 𝐻 − 𝑂𝐻 = +498.7 kJ/mol
3. is different from the energy required to dissociate one mole of H atoms by breaking the
bonds in [OH (g)]:
𝑂 − 𝐻 𝑔 → 𝐻 𝑔 + 𝑂 𝑔 ∆𝐻 = 𝐷 𝑂 − 𝐻 = +428.0 𝑘𝐽/𝑚𝑜𝑙
The two O – H bonds in H2O are identical; therefore, they should have identical
energies.
This energy, which we can call the bond energy in is the average of the two values listed
above: [(498.7 + 428.0)/2 = 463.35]= 463.35 kJ / mol
The bond dissociation energy for O – H bond in CH3OH = 436.8 kJ/mol
An average bond energy is the average of bond-dissociation energies for a number of
different species containing the particular bond. (these values are not precise)
4.
5. ∆𝐻𝑟𝑥𝑛 = ∆𝐻 (𝑏𝑜𝑛𝑑 𝑏𝑟𝑎𝑘𝑎𝑔𝑒) + ∆𝐻 (𝑏𝑜𝑛𝑑 𝑓𝑜𝑟𝑚𝑎𝑡𝑖𝑜𝑛)
≈ 𝐵𝐸 (𝑟𝑒𝑎𝑐𝑡𝑎𝑛𝑡𝑠) − 𝐵𝑒 (𝑝𝑟𝑜𝑑𝑢𝑐𝑡𝑠)
Enthalpy of reaction from bond energies
6. Calculating an Enthalpy of Reaction from Bond Energies
Example 10-15
The reaction of methane and chlorine produces a mixture of products called chloromethanes.
One of these is monochloromethane, used in the preparation of silicones. Calculate for the
reaction
𝐶𝐻4 𝑔 + 𝐶𝑙2 𝑔 → 𝐶𝐻3 𝐶𝑙 𝑔 + 𝐻𝐶𝑙 𝑔
draw structural formulas (or Lewis structures)
Solution
Bonds that are broken are shown in red and bonds that are formed, in blue. Bonds that remain
unchanged are black.
7. It is required to break four C – H bonds and one Cl – Cl bond and form three C – H bonds,
one C – Cl bond, and one H – Cl bond. The net change, however, is the breaking of one C
– H bond and one Cl – Cl bond, followed by the formation of one C Cl bond and one H –
Cl bond
∆H for net bond breakage: 1 mol C – H bond +414 kJ
1 mol Cl – Cl bond +243 kJ
Sum +657 kJ
∆H for net bond formation: 1 mol C – Cl bonds -339 kJ
1 mol H – Cl bond -431 kJ
Sum - 770 kJ
Enthalpy of reaction: ∆𝐻 = 657 − 770 = −113 𝑘𝐽
8. Using Bond Energies to Predict Exothermic and Endothermic
Reactions
Example
One of the steps in the formation of monochloromethane (Example 10-15) is the reaction of a
gaseous chlorine atom (a chlorine radical) with a molecule of methane. The products are an
unstable methyl radical and HCl(g). Is this reaction endothermic or exothermic?
𝐶𝐻4 𝑔 + 𝐶𝑙 𝑔 → 𝐶𝐻3 𝑔 + 𝐻𝐶𝑙 𝑔
Solution
In the reaction, one C – H bond is broken for every C – H bond formed. Thus, we must
compare the bond energies for the C- H and H – Cl bonds to decide whether the reaction
is endothermic or exothermic.
Bond breaking (C – H) =
414 kJ /mol of bonds
Bond formation (H – Cl) =
434 kJ /mol of bonds
Because more energy
is released, Therefore,
Exothermic
Editor's Notes
Bond energy, bond length, and bond order are interrelated properties in this sense: the higher the bond order, the shorter the bond between two atoms and the greater the bond energy.
Energy is released when isolated atoms join to form a covalent bond, and energy must be absorbed to break apart covalently bonded atoms.