Podcast
Questions and Answers
What type of strain affects the stability of a conformation?
What type of strain affects the stability of a conformation?
- Ionic strain
- Gravitational strain
- Torsional strain (correct)
- Magnetic strain
The eclipsed conformation of ethane is more stable than the staggered conformation.
The eclipsed conformation of ethane is more stable than the staggered conformation.
False (B)
What is the maximum value of the energy barrier that hinders free rotation around a C-C single bond?
What is the maximum value of the energy barrier that hinders free rotation around a C-C single bond?
1-20 kJ/mol
The magnitude of torsional strain is dependent upon the __________ angle about the C-C bond.
The magnitude of torsional strain is dependent upon the __________ angle about the C-C bond.
What are alternative names of conformers?
What are alternative names of conformers?
There are only two conformations possible for Ethane?
There are only two conformations possible for Ethane?
What are eclipsed and staggered conformation represented by?
What are eclipsed and staggered conformation represented by?
What type of repulsive interaction is called torsional strain?
What type of repulsive interaction is called torsional strain?
Alkyl halides on reduction with zinc and dilute hydrochloric acid give __________.
Alkyl halides on reduction with zinc and dilute hydrochloric acid give __________.
Match the following terms related to conformations:
Match the following terms related to conformations:
Flashcards
Conformations
Conformations
Molecular arrangements from single bond rotation.
Torsional strain
Torsional strain
A type of repulsive interaction between adjacent bonds.
Dihedral Angle
Dihedral Angle
Magnitude of torsional strain around C-C bond.
Eclipsed Conformation
Eclipsed Conformation
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Staggered Conformation
Staggered Conformation
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Conformation Representation
Conformation Representation
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Wurtz reaction
Wurtz reaction
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Decarboxylation
Decarboxylation
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Hydrogenation
Hydrogenation
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Study Notes
Algèbre Linéaire
Vecteurs
- A vector has a direction, a sense, and a magnitude (length).
- Addition: $\vec{u} + \vec{v} = (u_1 + v_1, u_2 + v_2)$
- Subtraction: $\vec{u} - \vec{v} = (u_1 - v_1, u_2 - v_2)$
- Scalar Multiplication: $k\vec{u} = (ku_1, ku_2)$, where $\vec{u} = (u_1, u_2)$, $\vec{v} = (v_1, v_2)$, and $k$ is a scalar.
Produit Scalaire
- The dot product of two vectors is $\vec{u} \cdot \vec{v} = ||\vec{u}|| \cdot ||\vec{v}|| \cdot \cos(\theta)$
- $||\vec{u}||$ and $||\vec{v}||$ are the magnitudes of the vectors
- $\theta$ is the angle between them.
- In Cartesian coordinates: $\vec{u} \cdot \vec{v} = u_1v_1 + u_2v_2$
Produit Vectoriel
- The cross product of two vectors $\vec{u}$ and $\vec{v}$ in $\mathbb{R}^3$ results in a vector that is perpendicular to the plane containing $\vec{u}$ and $\vec{v}$.
- Magnitude: $||\vec{u} \times \vec{v}|| = ||\vec{u}|| \cdot ||\vec{v}|| \cdot \sin(\theta)$
- The direction is given by the right-hand rule.
- In Cartesian coordinates: $\vec{u} \times \vec{v} = (u_2v_3 - u_3v_2, u_3v_1 - u_1v_3, u_1v_2 - u_2v_1)$
Matrices
- A matrix is a rectangular array of numbers
- An $m \times n$ matrix has $m$ rows and $n$ columns.
- Addition: $A + B = C$, where $c_{ij} = a_{ij} + b_{ij}$
- Scalar Multiplication: $kA = B$, where $b_{ij} = ka_{ij}$
- Matrix Multiplication: $(AB){ij} = \sum{k=1}^{n} a_{ik}b_{kj}$
- A and B are matrices, k is a scalar.
Transposition
- The transpose of a matrix $A$, denoted $A^T$, is obtained by swapping $A$'s rows and columns.
- If $A$ is $m \times n$, then $A^T$ is $n \times m$.
Inverse
- Inverse of a square matrix $A$, denoted $A^{-1}$, satisfies $AA^{-1} = A^{-1}A = I$, where $I$ is the identity matrix.
Déterminant
- The determinant of a square matrix $A$, denoted $\det(A)$ or $|A|$, is a scalar.
- For a $2 \times 2$ matrix, $A = \begin{bmatrix} a & b \ c & d \end{bmatrix}$, $\det(A) = ad - bc$
Systèmes d'équations linéaires
- Can be represented as $Ax = b$, where $A$ is the coefficient matrix, $x$ is the vector of unknowns, and $b$ is the vector of constants.
- Solution Methods:
- Gaussian elimination
- Matrix inversion: $x = A^{-1}b$
- Cramer's rule
Valeurs propres et vecteurs propres
- For a square matrix $A$, an eigenvector $v$ and eigenvalue $\lambda$ satisfy $Av = \lambda v$.
- Eigenvalues are roots of the characteristic polynomial $\det(A - \lambda I) = 0$.
The Pythagorean Theorem
- Useful to workout missing length / side of a right triangle
- Equation: $a^2 + b^2 = c^2$
- a/b are the legs
- c is the hypotenuse
- Some triangles sizes that follow this rule are
- 3, 4, 5
- 5, 12, 13
- 8, 15, 17
- 7, 24, 25
- Applications of this theorum includes, geometry, navigation, engineering and physics
Partial Differential Equations
- Relates an unknown function $u$ of at least two variables and its partial derivatives.
- General form for linear, second-order PDEs in two independent variables: $Au_{xx} + 2Bu_{xy} + Cu_{yy} + Du_x + Eu_y + Fu = G$
- $A, B, C, D, E, F,$ and $G$ are functions of $(x, y)$.
- The equation is linear due to the linear appearance of $u$ and its derivatives.
- Second-order because the highest derivative is of second order.
The Discriminant
- Key for PDE identification and simplification
- $\Delta = AC - B^2$ can identify the form of PDE, and its form
- If $\Delta > 0$, the PDE is elliptic.
- If $\Delta = 0$, the PDE is parabolic.
- If $\Delta < 0$, the PDE is hyperbolic.
Canonical Form
- A simplified form of a PDE attained via a change of independent variables.
- The type of canonical form depends on the discriminant $\Delta$.
Elliptic PDEs $(\Delta > 0)$
- Example: Laplace's equation: $u_{xx} + u_{yy} = 0$
- Canonical form: $\xi_{\eta\eta} + \xi_{\xi\xi} = \phi(\xi, \eta, \xi_{\xi}, \xi_{\eta})$
Parabolic PDEs $(\Delta = 0)$
- Example: Heat equation: $u_t = ku_{xx}$
- Canonical form: $\xi_{\eta\eta} = \phi(\xi, \eta, \xi_{\xi}, \xi_{\eta})$
Hyperbolic PDEs $(\Delta < 0)$
- Example: Wave equation: $u_{tt} = c^2u_{xx}$.
- Canonical form: $\xi_{\xi\eta} = \phi(\xi, \eta, \xi_{\xi}, \xi_{\eta})$
Lab 3: Working with Data
Objectives
- You will achieve
- the ability to import data into a Pandas DataFrame
- clean and prepare data for analysis
- perform exploratory data analysis (EDA) using Pandas
- visualize data using Matplotlib and Seaborn
Introduction
- Task focuses on a dataset of customer transactions from an online retail store
- It contains details on each transaction, such as customer ID, product ID, transaction date, and amount.
- Pandas is used to import, clean, and prepare the data.
Task 1: Data Import and Cleaning
- Steps to create setup your dataframe
- Import
transactions.csv
into a Pandas DataFrame usingread_csv()
. - Inspect data structure and content using
head()
,info()
, anddescribe()
. - Clean data by handling:
- Missing values using
isnull().sum()
to identify anddropna()
to remove. - Duplicate rows using
duplicated().sum()
to identify anddrop_duplicates()
to remove. - Inconsistent data types by converting
transaction_date
to datetime usingpd.to_datetime()
.
- Missing values using
Task 2: Exploratory Data Analysis (EDA)
- Calculate descriptive statistics for numerical columns using
describe()
. - Group data by columns (e.g.,
customer_id
) and calculate summary statistics (e.g., total transaction amount) usinggroupby()
andsum()
. - Identify outliers using box plots created with Matplotlib or Seaborn.
Task 3: Data Visualization
- Visualization methods includes:
- Create histograms of numerical columns using
plt.hist()
. - Create scatter plots of numerical columns using
plt.scatter()
. - Create bar charts of categorical data using
plt.bar()
with value counts.
Submission
- Submit code and report summarizing findings and insights from the EDA.
- Explore advanced visualizations, in-depth EDA, and predictive modeling as bonus tasks.
Chemical Engineering Thermodynamics
Chapter 10 Vapor-Liquid Equilibrium (VLE)
- Equilibrium of a liquid and its vapor
10.1 Basic Thermodynamics of VLE
- When two or more phases are brought into contact, spontaneous transport of species from one phase to another occurs.
- Vapor-Liquid Equilibrium occurs when the rate of evaporation equals the rate of condensation.
- The chemical potential of each component is the same in the liquid and vapor phases.
$$\hat{f}{i}^{V} = \hat{f}{i}^{L}$$
- $\hat{f}_{i}^{V}$ is the fugacity of component i in the vapor phase
- $\hat{f}_{i}^{L}$ is the fugacity of component i in the liquid phase
Vapour & Solutions equations
-
For an ideal gas: $\hat{f}{i}^{V} = y{i}P$
- $y_{i}$ is the mole fraction of component i in the vapor phase, P is the total pressure
-
For an ideal solution: $\hat{f}{i}^{L} = x{i}P_{i}^{sat}$
- $x_{i}$ is the mole fraction of component i in the liquid phase
- $P_{i}^{sat}$ is the vapor pressure of pure component i at the system temperature
From these two points:
- $y_{i}P = x_{i}P_{i}^{sat}$
- This is known as Raoult's Law.
- $y_{i}P = x_{i}\gamma_{i}P_{i}^{sat}$
- $\gamma_{i}$ is the activity coefficient of component i in the liquid phase.
- Corrects for non-ideality of the liquid phase, in Modified Raoult's Law.
10.2 VLE Calculations
-
Types of calculations, solving the system
-
Bubble Point Calculation -- At a given T & $x_{i}$ find P & $y_{i}$
-
Dew Point Calculation -- At a given T & $y_{i}$ find P & $x_{i}$
-
Bubble Temperature Calculation -- At a given P & $x_{i}$ find T & $y_{i}$
-
Dew Temperature Calculation -- At a given P & $y_{i}$ find T & $x_{i}$
10.3 Flash Calculations
- Flash Calculation -- At a given P, T & $z_{i}$ find $x_{i}$, $y_{i}$, V, L
- $z_{i}$ is the overall mole fraction of component i in the feed
- V is the molar flow rate of the vapor phase
- L is the molar flow rate of the liquid phase
- Example: Flash calculation for a binary mixture obeying Raoult's Law -- Given values and using this law, we can workout the state of the material
- Antoine Equation: -- $\ln(P^{sat}) = A - \frac{B}{T + C}$
- A, B, and C are Antoine coefficients for a specific component.
- This equation estimates the saturation pressure at different temperatures.
10.4 VLE in Non-Ideal Systems
- For non-ideal systems, activity coefficients are used
- Correct for deviations from ideality in the liquid phase and estimate activity $$\gamma_{i} = \frac{\hat{f}{i}^{L}}{x{i}P_{i}^{sat}}$$
- Coefficient for different conditions can be estimated using Van Laar, Wilson, or NRTL models
10.5 Azeotropes
- No change in properties by distillation
- Occurs when the vapor composition is equal to the liquid composition at a specific temperature and pressure. $$x_{i} = y_{i}$$
- Two liquids, minimum-boiling or maximum-boiling
10.6 Immiscible Liquids
- Liquids does not mix
- Each liquid exerts its own vapor pressure
- The total pressure is the sum of the vapor pressures of the individual liquids. $$P = P_{1}^{sat} + P_{2}^{sat}$$
- High-boiling substance can be distilled at a lower temperature by adding water (steam distillation).
EconomÃa
Producción
- Producción breakdown includes
- Trabajo (L): human efforts and time
- Capital (K): durable goods used in production
- Tierra (T): natural resources
- TecnologÃa (A): knowledge and techniques
Función de producción
- Maximum output with available factors
$Q = f(L, K, T, A)$
- Q = cantidad de producción
- L = trabajo
- K = capital
- T = tierra
- A = tecnologÃa
Producto total, producto marginal y producto medio
- Understanding outputs
- Producto Total (PT): total production
- Producto Marginal (PMg): change in total product per unit increase in a factor
- Producto Medio (PMe): average product per unit of factor used
$PMg = \frac{\Delta PT}{\Delta factor}$
$PMe = \frac{PT}{cantidad ; de ; factor}$
Representación gráfica
- Shows relationships between PT, PMe, and PMg using a graph with a horizontal axis (L) and vertical axis (Q)
- Etapas de la producción:*
- Stage 1 is from pt 0 to pt where production is optimal on the PMe curve
- Stage 2 occurs from a pt where PT is at its optimal point, to zero on production on the PMg curve
- Stage 3: All data after optimal values from the curve are reached
Costos
- Costs to create products
- Costos a corto plazo (short term) -- Costos fijos (CF): fixed costs -- Costos variables (CV): variable costs -- Costo total (CT): total cost -- Costo marginal (CMg): marginal cost related to production of additional units.
$CT = CF + CV$
$CMg = \frac{\Delta CT}{\Delta Q}$
Costos medios
- Costo fijo medio (CFMe): average fixed cost
- Costo variable medio (CVMe): average variable cost
- Costo total medio (CTMe): average total cost
$CFMe = \frac{CF}{Q}$
$CVMe = \frac{CV}{Q}$
$CTMe = \frac{CT}{Q}$
Representación gráfica
- Curves showing the relationship between total costs and production
- The marginal cost curve intersects with the average total and variable cost curves at their lowest points
- CMg is U-shaped.
- CVMe is U-shaped and reaches its minimum before CTMe.
- CTMe is U-shaped and is above the CVMe curve.
- CFMe is decreasing.
Statics
Chapter 1 General Principles
- Mechanics: study of the state of rest or motion of bodies under forces.
1.2 Fundamental Concepts
-
Basic Quantities:
- Length: position in space
- Time: succession of events
- Mass: quantity of matter
- Force: a "push" or "pull"
-
Idealizations:
-
Particle: A body of negligible size
-
Rigid Body: A combination of a large number of particles in which all the particles remain at a fixed distance from one another
-
Concentrated Force: The effect of a loading which is assumed to act at a point on a body
-
Newton's Three Laws of Motion:
- First Law: inertia (bodies at rest remain at rest, bodies in motion remain in motion)
- Second Law: $F = ma$ (Force = mass * acceleration)
- Third Law: mutual forces between two particles are equal, opposite, and collinear.
-
Newton's Law of Gravitational Attraction: $$ F = G \frac{m_1 m_2}{r^2} $$
-
$F$ is force of gravitation
-
$G = 66.73(10^{-12}) m^3/(kg \cdot s^2)$
-
$m_1, m_2$ are mass
-
$r$ is the distance
-
Weight is $W = mg$ where $g = 9.81 m/s^2$.
1.3 Units of Measurement
- SI Units:
- Length (meter)
- Time (second)
- Mass (kilogram)
Force is $F = ma = kg \cdot m/s^2 = Newton (N)$.
- Prefixes are use to scale and read metrics e.g. kilo, mega, micro
1.4 The International System of Units
- Rules for use of SI units Algebraic operations follow the same rules as for numeric values, and any physical quantity can be expressed by appropriate SI units
1.5 Numerical Calculations
- Dimensional Homogeneity: each term in an equation must have the same units.
- Significant Figures: Answer precision should match the least precise data entry.
- Rounding Numbers: increase the last digit to be retained by one if the first digit dropped is 5 or greater.
1.6 General Procedure for Analysis
- Understand the problem, draw diagrams, apply principles, solve equations, report the answer, and analyze solution.
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