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Explicitness

The fugacity coefficient is a function of temperature, total pressure, and composition of the vapor phase it can be calculated from volumetric data for the vapor mixture. For a mixture containing m components, such data are often expressed in the form of an equation of state explicit in the pressure... [Pg.26]

IF BINARY SYSTEM CONTAINS NO ORGANIC ACIDS. THE SECOND VIRTAL coefficients ARE USED IN A VOLUME EXPLICIT EQUATION OF STATE TO CALCULATE THE FUGACITY COEFFICIENTS. FOR ORGANIC ACIDS FUGACITY COEFFICIENTS ARE PREDICTED FROM THE CHEMICAL THEORY FOR NQN-IOEALITY WITH EQUILIBRIUM CONSTANTS OBTAINED from METASTABLE. BOUND. ANO CHEMICAL CONTRIBUTIONS TO THE SECOND VIRIAL COEFFICIENTS. [Pg.266]

IF THE CHEMICAL THEORY IS TO 0E USED PROCEED TO STATEMENT 30, OTHERWISE USE THE VOLUME EXPLICIT EOUATTON OF STATE... [Pg.267]

There is now a simple explicit expression for the vapor rate in a single column in terms of the feed to the column. In order to use this expression to screen column sequences, the vapor rate in each column must be calculated according to Eq. (5.8), assuming a sharp separation in each column, and the individual vapor rates summed. [Pg.137]

Before suggesting an approach for predicting the minimum number of shells for an entire network, a more convenient method for determining the number of shells in a single unit must first be found. Adopting the design criterion given by Eq. (7.13) as the basis, then any need for trial and error can be eliminated, since an explicit... [Pg.225]

Once a design is known for the first two layers of the onion (i.e., reactors and separators only), the overall total cost of this design for all four layers of the onion (i.e., reactors, separators, heat exchanger network, and utilities) is simply the total cost of all reactors and separators (evaluated explicitly) plus the total cost target for heat exchanger network and utilities. [Pg.236]

Using computer programs compiicates the problem because the calculation accuracy is never given for commercial reasons. Furthermore, the ways in which the methods are executed are not explicit and the data banks are often considered secret and inaccessible. [Pg.106]

It is very important, from one hand, to accept a hypothesis about the material fracture properties before physical model building because general view of TF is going to change depending on mechanical model (brittle, elasto-plastic, visco-elasto-plastic, ete.) of the material. From the other hand, it is necessary to keep in mind that the material response to loads or actions is different depending on the accepted mechanical model because rheological properties of the material determine type of response in time. The most remarkable difference can be observed between brittle materials and materials with explicit plastic properties. [Pg.191]

Figure 4. Explicit plastic properties material AE responses as count velocity N and logarithm spectrum log(S) characteristics of the process. Figure 4. Explicit plastic properties material AE responses as count velocity N and logarithm spectrum log(S) characteristics of the process.
Note that this relationship is in conPadiction to the well known equation for the calculation of the thickness resolving power given by Halmshaw in 111. The relationship in 111 requires explicit knowledge about built-up factors for scatter correction and the film contrast factory (depending on D) and is only valid for very small wall thickness changes compared to the nominal wall thickness. [Pg.563]

Metrological attestation as the procedure that ensures reproducibility and comparability of the results of measurements is specified in GOST 8.010-90 State System of Measurements. Procedures of Measurements Implementation didn t find wide use in NDT. In airspace industry, railway and naval transport the requirements of approval of test procedures is in force more than 20 years. In chemical and oil-chemical sectors the similar requirements were less explicit. In some industries, for example in building GOST 8.010-90 was not put into account. [Pg.960]

Most of the situations encountered in capillarity involve figures of revolution, and for these it is possible to write down explicit expressions for and R2 by choosing plane 1 so that it passes through the axis of revolution. As shown in Fig. II-7n, R then swings in the plane of the paper, i.e., it is the curvature of the profile at the point in question. R is therefore given simply by the expression from analytical geometry for the curvature of a line... [Pg.7]

Marmur [12] has presented a guide to the appropriate choice of approximate solution to the Poisson-Boltzmann equation (Eq. V-5) for planar surfaces in an asymmetrical electrolyte. The solution to the Poisson-Boltzmann equation around a spherical charged particle is very important to colloid science. Explicit solutions cannot be obtained but there are extensive tabulations, known as the LOW tables [13]. For small values of o, an approximate equation is [9, 14]... [Pg.174]

Dynamic models for ionic lattices recognize explicitly the force constants between ions and their polarization. In shell models, the ions are represented as a shell and a core, coupled by a spring (see Refs. 57-59), and parameters are evaluated by matching bulk elastic and dielectric properties. Application of these models to the surface region has allowed calculation of surface vibrational modes [60] and LEED patterns [61-63] (see Section VIII-2). [Pg.268]

A logical division is made for the adsorption of nonelectrolytes according to whether they are in dilute or concentrated solution. In dilute solutions, the treatment is very similar to that for gas adsorption, whereas in concentrated binary mixtures the role of the solvent becomes more explicit. An important class of adsorbed materials, self-assembling monolayers, are briefly reviewed along with an overview of the essential features of polymer adsorption. The adsorption of electrolytes is treated briefly, mainly in terms of the exchange of components in an electrical double layer. [Pg.390]

There are also approaches [, and M] to control that have had marked success and which do not rely on quantum mechanical coherence. These approaches typically rely explicitly on a knowledge of the internal molecular dynamics, both in the design of the experiment and in the achievement of control. So far, these approaches have exploited only implicitly the very simplest types of bifiircation phenomena, such as the transition from local to nonnal stretch modes. If fiittlier success is achieved along these lines m larger molecules, it seems likely that deliberate knowledge and exploitation of more complicated bifiircation phenomena will be a matter of necessity. [Pg.78]

It is possible to write down a many-body wavefiinction that will reflect the antisynmietric nature of the wavefiinction. In this discussion, the spin coordinate of each electron needs to be explicitly treated. The coordinates of an electron may be specified by rs. where s. represents the spin coordinate. Starting with one-electron orbitals, ( ). (r. s), the following fomi can be invoked ... [Pg.90]

In contemporary theories, a is taken to be and correlation energies are explicitly included in the energy... [Pg.96]

There are also very reliable approximate methods for treating the outer core states without explicitly incorporating them in the valence shell. [Pg.112]

We can describe the conservation of linear momenUim by noting the analogy between tire time-dependent Schrodinger equation, (equation A1.4.1 OS ), and (equation A1.4.991. For an isolated molecule, //does not depend explicitly on t and we can repeat the arguments expressed in (equation Al.4.98), (equation A1.4.99), (equation A1.4.1 OOl. (equation A 1.4.1011 and (equation A1.4.1021 with X replaced by t and Py replaced by // to show that... [Pg.166]

If the long-range mteraction between a pair of molecules is treated by quantum mechanical perturbation theory, then the electrostatic interactions considered in section Al.5.2.3 arise in first order, whereas induction and dispersion effects appear in second order. The multipole expansion of the induction energy in its fill generality [7, 28] is quite complex. Here we consider only explicit expressions for individual temis in the... [Pg.190]

This representation is slightly inconvenient since Ey and 2 in equation (Al.6.56) are explicitly time-dependent. For a monocln-omatic light field of frequency oi, we can transfonn to a frame of reference rotating at the frequency of the light field so that the vector j s a constant. To completely remove the time dependence... [Pg.231]

To arrive at a dynamical interpretation of this diagram it is instructive to write the fomuila for the dominant tenn inP - explicitly ... [Pg.260]

In this case, is essentially frozen and we can write where we have indicated explicitly... [Pg.264]

In general, the phonon density of states g(cn), doi is a complicated fimction which can be directly measured from experiments, or can be computed from the results from computer simulations of a crystal. The explicit analytic expression of g(oi) for the Debye model is a consequence of the two assumptions that were made above for the frequency and velocity of the elastic waves. An even simpler assumption about g(oi) leads to the Einstein model, which first showed how quantum effects lead to deviations from the classical equipartition result as seen experimentally. In the Einstein model, one assumes that only one level at frequency oig is appreciably populated by phonons so that g(oi) = 5(oi-cog) and, for each of the Einstein modes. is... [Pg.357]

An explicit example of an equilibrium ensemble is the microcanonical ensemble, which describes closed systems with adiabatic walls. Such systems have constraints of fixed N, V and E < W< E + E. E is very small compared to E, and corresponds to the assumed very weak interaction of the isolated system with the surroundings. E has to be chosen such that it is larger than (Si )... [Pg.386]


See other pages where Explicitness is mentioned: [Pg.15]    [Pg.220]    [Pg.402]    [Pg.331]    [Pg.663]    [Pg.923]    [Pg.139]    [Pg.630]    [Pg.654]    [Pg.24]    [Pg.25]    [Pg.26]    [Pg.27]    [Pg.96]    [Pg.96]    [Pg.112]    [Pg.165]    [Pg.189]    [Pg.235]    [Pg.260]    [Pg.274]    [Pg.285]    [Pg.304]    [Pg.380]    [Pg.382]   


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Angular functions explicit expressions

Avoiding explicit labels

Bonding approach, explicit

Calculation of Fugacities from Pressure-Explicit EOSs

Chemical solvent model, explicit quantum

Conduction explicit finite difference

Correlation, explicit

Declaration, implicit/ explicit

Detour Explicitly Correlated Wave Functions

Difference explicit

Difference scheme explicit

Difference scheme explicit iteration

Discretisation explicit method

Electronic structure-based explicit polarization

Energy explicit functionals

Enlist Latent Functionality to Avoid Explicit Protecting Group Steps

Equation of state volume-explicit

Equation pressure-explicit

Equilibria explicit equations

Euler algorithm, explicit

Euler algorithm, explicit implicit

Euler explicit

Euler method, explicit

Euler’s explicit method

Evaluating an Explicit Flow Model for the Protein Routing Question

Evaluation explicit method

Explicit

Explicit Cartesian expressions for the complex solid harmonics

Explicit Cartesian expressions for the real solid harmonics

Explicit Computation of the Concentration Profiles

Explicit Conformation Storage

Explicit Convergence Methods

Explicit Density Functionals

Explicit Estimation

Explicit Expression for the Excess Free Energy

Explicit Expression for the Excess Volume

Explicit Expressions for Electric and Magnetic Properties

Explicit Expressions for the Excess Functions

Explicit Expressions of the Positive-Energy Hamiltonians

Explicit Finite-Difference Formulation

Explicit Form of Perturbation Operators

Explicit Form of the Second Order Terms - Discussion

Explicit Fractional Step Algorithm for Solving the Two-Fluid Model Equations Applied to Bubble Column Flow

Explicit Functions of the Interelectron Distance

Explicit Inversion/Multiplication

Explicit Inversion/Multiplication Method

Explicit Inversion/Multiplication computations

Explicit Least Squares Estimation

Explicit Matrix Solution for Total Exchange Areas

Explicit Modeling Approach

Explicit Models for Condensed Phases

Explicit Models for Water Molecules

Explicit Numerical Integration Algorithms

Explicit Ordinary Differential Equations

Explicit Pade approximant

Explicit Polarization Theory

Explicit Rate Expression

Explicit Relativistic Calculations

Explicit Relativistic Exchange-Correlation Functionals

Explicit Solution for the General Three Component System

Explicit Solvent Models

Explicit Solvent Models Atomistic Simulations

Explicit Solvent Models Molecular Theories of Liquids

Explicit Solvent Molecular Dynamics

Explicit Solvent Simulations

Explicit Sweep Distribution Simulations

Explicit Transformation Functions

Explicit Treatment of the Hyperfine Coupling

Explicit algorithm

Explicit and Implicit Finite Difference Methods

Explicit and Implicit Methods

Explicit atoms

Explicit balance equations for simple cases

Explicit calculation of compressible flow

Explicit calculation of compressible flow using approximating functions

Explicit calculations

Explicit components of the energy functional

Explicit construction of the energy density functional within an orbit

Explicit counterion simulations

Explicit dates

Explicit differencing methods

Explicit differential equations in photokinetics

Explicit digital simulation

Explicit distribution

Explicit dynamic simulations

Explicit dynamics procedure

Explicit effects

Explicit engineering knowledge

Explicit enumeration

Explicit equations

Explicit expression for the conductance and comparison with experiment

Explicit expressions for structure factor least-squares

Explicit expressions for the deviations from IG, SI, and DI behavior

Explicit finite difference

Explicit finite difference method

Explicit finite-difference algorithm

Explicit forward Euler approximation

Explicit functions

Explicit goal representation

Explicit hydrogens

Explicit integration

Explicit integration methods

Explicit kinetic models, metabolic reactions

Explicit learning

Explicit mechanism

Explicit memory

Explicit method

Explicit method transient heat conduction

Explicit methods Krishna

Explicit methods Taylor

Explicit model conversion kinetics

Explicit model diffusion kinetics

Explicit model steady-state solution

Explicit models

Explicit particles

Explicit penultimate model

Explicit propagation steps

Explicit scheme

Explicit scoring

Explicit sequence

Explicit solute-solvent interactions

Explicit solution instability

Explicit solution method

Explicit solutions

Explicit solvation

Explicit solvation molecules

Explicit solvation scheme

Explicit solvation structure

Explicit solvent

Explicit solvent calculations

Explicit solvent methods

Explicit solvent molecules

Explicit solvent, modelling

Explicit switching

Explicit techniques

Explicit using approximating functions

Explicit water molecules

Explicit waters

Explicit, Central Difference Solutions

Explicit, Exponential Difference Solutions

Explicit, Upwind Difference Solutions

Explicit-hydrogen model

Explicit-implicit solvent models

Explicit-solvent approaches

Explicitly Dependent Events

Explicitly correlated CCSD theory

Explicitly correlated Gaussian

Explicitly correlated Gaussian functions

Explicitly correlated Gaussian functions basis sets

Explicitly correlated geminals

Explicitly correlated methods

Explicitly correlated methods Hylleraas function

Explicitly correlated methods correlating functions

Explicitly correlated second-order

Explicitly correlated second-order Moller-Plesset

Explicitly correlated wave function

Explicitly correlated wave function theory

Finite difference methods explicit method

Finite-difference solution by the explicit method

Formalisms for the Explicit Inclusion of Electronic Polarizability in Molecular Modeling and Dynamics Studies

Free energy explicit functionals

Half-explicit method

Hydrogen bonding explicit term model

Implementing unequal intervals explicit methods

Implicit versus explicit modeling

Implicit-pressure, explicit-saturation

Initial value problems 177 explicit methods

Instability explicit numerical solution

Integration algorithms explicit

Knowing the difference between implicit and explicit scoring

Knowledge explicit

Learning implicit/explicit

Logistic Formulation and Explicit Enzyme Kinetics Solution

Modeling binding sites including ligand information explicitly

Models Explicitly Accounting for Mixing

Molecular dynamics simulation explicit solvent models

Molecular dynamics simulations explicit solvent simulation

Multistep methods explicit

Numerical methods explicit

Numerical methods explicit method

Ordinary differential equation explicit solution

Ordinary differential equations explicit methods

P of Pure Species Based on Pressure-Explicit EOSs

Physical Transport Using the Technique of Explicit Differences

Potential Step in an Infinite Solution—Explicit Method

Pressure explicit equation of state

Quantum mechanics methods electronic structure-based explicit

RadFrac Model with Explicit Heat-Exchanger Dynamics

Rate Laws with Explicit Solutions

Reaction indexing schemes, explicit

Relative Merits of Explicit and Implicit Solvent Models

Relative Solvation Free Energies Calculated Using Explicit Solvent

Relativistic Corrections to Explicitly Correlated Wavefunctions

Resource sharing explicit

Runge explicit

Runge-Kutta method explicit

Safety models explicit

Semi-explicit DAE

Simple explicit method

Simplified Explicit Methods

Solvated electron explicit

Solvation effects explicit solvent

Solvation explicit modeling

Solvation explicit solvent models

Solvation explicit/implicit hybrid models

Solvation models explicit

Solvent explicit effect

Solvent molecules: explicit treatment

Special Case Explicit Calculation for Polyprotic Acids

Stability explicit numerical solution

Stability of Explicit Scheme

Stiff equations explicit methods

Synonymous terms, explicit

The Electronic Structure-Based Explicit Polarization (X-Pol) Potential

The Explicit Method

The Method of Explicit Core-Valence Orthogonality

The Virial Equation Explicit in Pressure

The simple, explicit difference method for transient heat conduction problems

Time-integration scheme Euler explicit

Truncation Error of Explicit Scheme

Water, explicit model

Wavefunction explicitly correlated

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