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	Science > Chemistry
	ITEMS

	159 items are in this category. Listing all items:

	Absorption of ammonia from air by liquid water Activity Coefficients in a Solvated Mixture of p-Dioxan and Chloroform at 50�C Activity Coefficients in Solvated Mixtures: Chemical and Physical Interactions Activity Coefficients Package Adiabatic Flash Calculations using the Peng Robinson Equation of State Application of Optimization to the Study of Chemical Processes Application of the arc length continuation method in nonlinear chemical dynamics Application of the Riccati Equation to Solve Adsorption Problems Application of the Riccati Equation to Solve Binary Distillation Problems Applications of the Soave-Redlich-Kwong Equation of State Atomic and Electronic Structure of Carbon Nanotubes Azeotropes computation using UNIQUAC model for the case of ternary system: 1-Butanol - Water- Butyl Acetate Balance Chemical Reactions Basic Data for Biochemistry Batch distillation of acetone-methanol mixture Batch rectification of pentane, hexane, heptane and octane mixture Bifurcation Analysis of Simple Distillation: Case of a Hypothetical Ternary Mixture with Chemical Reaction Binding of Ligands to an Infinite Linear Lattice: A Model for Non-Sequence-Selective Protein-DNA Interactions Breakthrough curves for adsorption assuming linear driving force, negligible dispersion and linear adsorption isotherm Breakthrough curves for adsorption with longitudinal diffusion under equilibrium assumption Brownian Dynamics of a Spherical Particle in a Fluid Flow with no External Force Brownian Dynamics of a Spherical Particle in a Quadratic Energy Well Brownian Dynamics Simulation using Periodic Boundary Condition and a Spatially-Periodic Potential C60 Graphics Calculation of High-Pressure Chemical Equilibrium: Case of ammonia synthesis Calculation of the Solubity of Naphtalene in Supercritical CO2 using the Peng Robinson Equation of State A Cellular Automata Simulation Program for Silicon Anisotropic Super Micro-etching Process in Aqueous KOH Chemical Stoichiometry Function CifImport: Crystal structure import from CIF files The CIMA Reaction Compartmental and Biokinetic Modeling Computation of Isovolatility Lines for Ternary Systems and Prediction of Azeotorpes Computation of Segregation, Hold-back, F-diagrams and E-diagrams for different flow situations Computation of the Solubility of Methanol in Natural Gas using the Peng Robinson Equation of State Computing Isothermal and Nonisothermal Effectiveness Factors Computing multiple steady states in a nonisothermal CSTR Construction of Attainable Region for van de Vusse Kinetics Control of chaotic behavior of a non-isothermal chemical system Crystallica: A package to plot crystal structures Design of a two adiabatic packed bed system Determination of the adjustable parameters of the corrections to the Debye-H�ckel limiting law Diffusion Effects in Complex Reaction Systems Diffusion-induced instability in a coupled reactor system: Case of the Deng-Harrison model Distillation Curves for Ternary Systems: Case of Acetone - Chloroform - Benzene Mixture Doehlert Design for Wet Pelletization in High Shear Mixer Dynamic 3D Molecular Model with nVizx Dynamic behavior of autocatalytic reaction networks Dynamic behavior of non-isothermal chemical system Dynamics and control of two tank in series Dynamics behavior of a diabatic continuous stirred tank reactor Dynamics of a binary distillation column: Case of a binary mixture with constant relative volatility Dynamics of a binary distillation column: Case of a Cyclohexane-Heptane mixture Dynamics of a Catalytic Fluidized Bed Reactor Dynamics of a continuous distillation column for the separation of a mixture of Benzene, Toluene and p-Xylene Dynamics of a five stages extraction cascade with solvent recycle Economic Operation of Fixed-bed Filter Effect of Gas Phase Dimerization on Vapor Liquid Equilibrium Data for the Binary Systems: acetic acid - water and formic acid - water Electron cloud of the H atom Enthalpy versus Composition Diagram for Ethanol-Water at 760 mmHg and 76 mmHg Enumeration of Isomers and Diamutamers An Equilibrium Theory for the Parametric Pump Evaluation of Reid and True Vapor Pressures Excess Enthalpy and Excess Gibbs Free Energy for Benzene/n-Heptane, Benzene/n-Nonane and Benzene/n-Dodecane at 298.15K Finding a kinetic rate law using experimental data from a batch enzymatic reactor Finding the Eigenvalues and Eigenvectors of a Symmetric Real Matrix Finding the Global Minimum of a Function using Simulated Annealing Flash and Equilibrium Constants Calculations using the Soave-Redlich-Kwong equation of state Flash Calculations using the Peng Robinson equation of state Flash Calculations Using the Peng-Robinson Equation of State Flash Distillation of a Mixture of Hydrocarbons Fourier Series of a Triangular Wave Function Gases Homotopy Continuation Method to Find All Real Roots of a Polynomial Equation Homotopy Continuation Method to Solve a System of Nonlinear Algebraic Equations Hunter and Nash Graphical Equilibrium Stage Method An Improved Method for Lyapunov Exponents Computation Introduction to Statistical Mechanics Introduction to the Use of Numerical Methods in Chemical Kinetics Isobaric Vapor-Liquid Diagram of Acetone-Water and Acetone-Methanol Mixtures at 760 mmHg The Joule-Thomson Coefficient for a Square Well Gas Langmuir Hinshelwood Mechanism Liquid Liquid Equilibrium Using NDSolve Lyapunov Exponents Computation for Various Non-Linear Dynamic Problems Mathematica Applications in Chemical Engineering Mathematical Functions for Thermodynamic Properties of Biochemical Reactants MathSBML MathSBML McCabe-Thiele Method for an Ideal Binary Mixture MDNewton Version 0.2 Membrane Separation of a Ternary Mixture Mixed-mode oscillations in chemical systems Modeling Separation by Liquid Chromatography Molecular Graphics Package 1.1 multiBondPlot: Plotting organic molecules Multiple Steady States in Adiabatic Reactors Natural Gas Thermodynamic and Transport Properties Nucleation and Growth Rates and Number, Size, Area and Mass of crystals from Crystal Size Distribution Numerical Computation of Kinetic Parameters for Reductive Dechlorination of Chlorinated Solvents Numerical Inversion of Laplace Transforms Optimal design of an ammonia reactor Optimization of a linear problem using the Simplex method A Package to check valid CAS Numbers Periodic Table of Elements pH of Acid Solutions Phase Envelope for Ethane-Benzene Mixture Phase-Plane Analysis of Biochemical Reactors Physical Chemistry Using Mathematica Ponchon Savarit Graphical Equilibrium Stage Method Power Spectrum of a Function Prediction of Conversion with an Isothermal Axially-Dispersed Plug Flow Reactor Prediction of the Solubility of Orange Essential Oil in High Pressure CO2 Pressure-volume isotherms for a Bragg-Williams lattice gas Process identification using impulse response and normalized moments Production of Enriched Air by Membrane Separation Production of SynGas using Coal-Steam reactions Quantum Mathematica Quasilinear Solution Sequence for Nonlinear Tubular Reactor with Dispersion The ratio of the number of ortho- to para-hydrogen molecules at equilibrium RCM of a Nonideal Ternary Mixture using StreamPlot Reaction Extent Computation of the Decomposition of Pure Nitrogen Tetroxide Reaction-Diffusion Lab Rectifying and Stripping Cascade Trajectories for Isopropyl Acetate Chemistry Rectifying and Stripping Profiles for the Reactive Cascade Residence Time Distribution and Conversion Calculations for Tanks in Series Model Residue Curve Map Computation using UNIQUAC Model: Case of a Quaternary Reactive System Residue Curve Map for Homogeneous Reactive Quaternary Mixtures Residue Curve Map for the MTBE/Methanol/isobutene/n-butane mixture at P=1 atm Schwarz' D Minimal Surface and the {6, 4} tilling Selection of Optimum Chemical Reactor Design Separation of a water-methanol mixture using a four stage batch distillation column Separation of Air using Complete Mixing, Cross-Flow and Countercurrent-Flow Models Separation Problems Using Mathematica Simple Batch Distillation of a Binary Mixture A simple mathematical model for prediction of nitrogen dioxide molecular structure Singular Point Analysis in Reactive Distillation Solution of Difference and Fredholm Equations Solution of Unsteady Heat Conduction in an Insulated Rod using the Orthogonal Collocation Method Solving the Maxwell-Stefan equations using the orthogonal collocation and the shooting methods Study of a Binary Mixture of Methane and Propane using the Virial Equation of State Study of the dynamic behavior of Three-Variable Autocatalator Successive First-Order Reversible Reactions Symmetry Operations of Crystallographic Point Groups and Space Groups Systematic Determination of Azeotropes for the Acetone - Chloroform - Methanol Mixture Using Relative Volatility Functions Temperature control of a water tank Three different methods to determine the concentration profile for a tubular reactor with axial dispersion Transient diffusion of mass within an infinitely long cylinder: The finite Hankel transform Type I and II liquid-liquid equilibrium diagrams for two ternary systems: water – ethyl acetate – acetone at 288.15 K and hexane – heptane – methanol at 306 K Unsteady-State Diffusion and Reaction in a Semi-infinite Medium Unsteady-State Heat Conduction using the Schmidt Numerical Method Vapor Phase Solubility of Decane in Nitrogen at 50�C Vapor-Liquid Equilibrium Computations using PR and SRK Equations of State for the heptane/hexane binary mixture at 760 mmHg Vapor-Liquid Equilibrium Diagram of Ethane-Benzene at 25�C and 175�C Vapor-Liquid Equilibrium Diagram of Ethanol-Ethyl Acetate at 760 mmHg Using Van Laar and UNIQUAC Models Vapour-Liquid Equilibrium Data Computation for a Partially Miscible Binary System using UNIQUAC and NRTL models VaspImport: Crystal structure import from VASP files VLE computations using Mathematica 7.0 VLLE Computation using Two-Parameter Margules Model: Case of a Ternary System Water-Ethanol-Ethyl Acetate Water and Steam Thermodynamic and Transport Properties Wei-Prater Mechanism
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