PHYSICAL CHEMISTRY

By MATTHEW JOHNSON

1 SYNOPSIS OF COMMONLY USED STATEMENTS IN BASIC LANGUAGE 1 11 Introduction 1 12 Numbers (or Constants) and Strings 1 13 Variables 2 14 Mathematical Operations 2 15 Assigning Value of a Variable 4 16 Printing Value of a Variable 5 17 Branching Statements 6 18 Use of Logical Operators 7 19 Use of Loop Statement 9 110 Subscripted Variables 11 111 Library Functions 11 112 Functions and Subroutines 14 113 American Standard Code For Information Interchange (ASCII) 17 114 Computer Graphics 19 2 LIST OF PROGRAMS 26 21 A Few Arithmetic Calculations 26 22 Average and Root Mean Square Average of the Given Numbers 29 23 Maximum/Minimum Amongst the Given Numbers 29 24 Ascending/Descending Order of the Given Numbers 30 25 Ascending/Descending Order of Alphabetical Names 31 26 Roots of a Quadratic Expression, ax2 + bx + c = 0 31 27 Root of a Function 32 28 Generation of Fibonacci Numbers 41 29 Generation of Factorials 41 210 Generation of Prime Numbers 42 211 Generation of Pascal Triangle 43 212 Rounding of a Number 44 213 Matrix Multiplication 45 214 Value of a Determinant 47 215 Inverse of a Matrix 50 216 Solutions of Linear and Nonlinear Equations 55 217 Balancing Chemical Equation 68 218 Numerical Interpolation 73 219 Numerical Integration 99 220 Numerical Differentiation 104 221 Sine and Cosine of an Angle by Series Summation 110 222 Histrogram of the Ratio nCm/(nCm)maximum 112 223 Evaluation of Thermodynamics Quantities of a Monatomic Gaseous Substance 114 224 Evaluation of Thermodynamics Quantities of a Diatomic Gaseous Substance 116 225 Evaluation of Thermodynamic Quantities of a Triatomic Gaseous Substance 119 226 Evaluation of Equilibrium Constant of N2(g) 2N(g) 124 227 Evaluation of Rate Constant of H + HBr H2 + Br 126 228 Least Square Fitting for y = a0 + a1x 129 229 Polynomial Fitting 137 230 Display of Van Der Waals Isotherms of a Gas 142 231 Display of Distribution of Molecular Speeds 144 232 Display of Distribution of Molecular Energies 145 233 Display of Potential Energy of Interaction of Ions 147 234 pH Titration Curve of a Strong Acid with a Strong Base 149 235 pH Titration Curve of a Weak Acid with a Strong Base 150 236 Display of Distribution Functions of a Diprotic Acid 152 237 pH Titration Curve of a Diprotic Acid with a Strong Base 154 238 General Treatment of pH Titration Curve of a Monoprotic Acid 156 239 General Treatment of pH Titration Curve of a Diprotic Acid 158 240 Conductivity Titration Curve of a Strong Acid with a Strong Base 159 241 Display of a Simple Eutectic Phase Diagram 161 242 Display of a Phase Diagram Exhibiting a Complete Series of Solid Solution 165 243 Display of the Concentrations of A, B and C in the Consecutive 167 244 Display of Wave Functions of a Particle in a Box 169 245 Display of Wave Functions of a Harmonic Oscillator 170 246 Display of r–Dependent Wave functions of a Hydrogen Atom 173 247 Display of Angular Dependence of p and d Orbitals 190 248 Display of Shapes and Orientations of sp and sp2 Hyprid Orbitals 198 249 Display of Energies of Bonding and Anti-bonding Molecular Orbitals of H2 + 201 250 Display of r-dependence of Molecular Orbitals of H2 + 202 251 Display of Radiant Energy of a Black Body 204 252 Display of Mass Fraction of kmer of a Polymer 207 253 Display of Variation of Heat Capacity of Solids at Constant Volume 208 254 Display of Unit Cells of a Cubic System 210 255 Display of 100, 110, 111 and 010 Planes of a Primitive Cubic System 212 256 Display of Joule-Thomson Coeffi cient and Inversion Temperature 219 257 Calculation of Internuclear Distance from Rotational Constant 222 258 Plot of More Potential of a Diatomic Molecule 224 259 Solvent Extraction 226 260 Para/Ortho Variations of H2 at Different Temperatures 227 261 Potentiometric Titrations 229 262 Vapour Pressure of Water via Entropy and Free Energy Considerations 231 263 Solution of Differential Equation of the First-Order 234 264 Solution of Differential Equation of the Second-Order 249 265 Autocatalysis 254 3 PROJECTS 256 31 Display of Van Der Waals Isotherms Along with its Surface of Discontinuity 256 32 Display of Gibbs Valley of a Reaction 260 33 Calculation of -electron Hückel Molecular Orbitals 273 34 Eutectic Phase Diagram via Free Energy Considerations 281 35 Phase Diagram of Ideal Solid – Ideal Liquid Solutions via Free Energy Considerations 295 36 Phase Diagram of Non-ideal Binary System via Free Energy Considerations 306 37 Display of Shapes of Orbitals 317 38 Eigenvalue Problem 329 39 Formation of Partially Miscible Liquids 337 310 Oscillatory Reactions 344