Differential mass balance equations

The sum of k i and ki2 is so high relative to the rate of micromixing that A and B will not coexist. Thus the number of ordinary mass balance differential equations requiring integration can be reduced from five to four by defining the following composite variables ... 

The equation above states that the net content in any compartment i equals the sum of all inflows from the other compartments minus the sum of all outflows towards the other compartments. Such a relation is also referred to as a mass balance differential equation, which is well-known in chemical engineering. In the... 

In the previous discussion of the one- and two-compartment models we have loaded the system with a single-dose D at time zero, and subsequently we observed its transient response until a steady state was reached. It has been shown that an analysis of the response in the central plasma compartment allows to estimate the transfer constants of the system. Once the transfer constants have been established, it is possible to study the behaviour of the model with different types of input functions. The case when the input is delivered at a constant rate during a certain time interval is of special importance. It applies when a drug is delivered by continuous intravenous infusion. We assume that an amount Z) of a drug is delivered during the time of infusion x at a constant rate (Fig. 39.10). The first part of the mass balance differential equation for this one-compartment open system, for times t between 0 and x, is given by ... 

A series of such mass balance differential equations representing all of the interlinked compartments are formulated to express a mathematical representation, or model, of the biological system. This model can then be used for computer simulation to predict the time course behavior of any given parameter in the model. 

When one of the above three resistances is predominant and the other two are negligible, the basic mass balance differential equation can be integrated and gives expressions for the relation between the extent of reaction and time, both being experimentally observable. Typical results... 

The assumptions in the model were incorporated into a series of mass-balance differential equations that account for the changes in the amount of methylmercury and mercuric mercury in each compartment. 

Third, the equations employed in a PBPK model should be consistent with the state of knowledge or biologically plausible hypotheses of the mechanisms of ADME for the particular chemical. In this regard, the uptake of chemicals in systemic circulation is described as either a diffusion-limited or perfusion-limited process (Gerlowski and Jain 1983), and metabolic clearance in individual tissues or tissue groups is described using a maximal velocity and Michaelis constant, intrinsic clearance, or hepatic extraction ratio (Krishnan and Andersen 2007). The mass balance differential equations accounting for uptake clearance, efflux clearance, and metabolic clearance are formulated as a function of identifiable input parameters (Table 21.1). 

The fed-batch reactor model is commonly built using classical thermal and mass balance differential equations [11], Under isothermal conditions, the material balance for each measured component in the H KR of epichlorohydrin with continuous water addition is expressed by one of the following equations (Eqs. 12-17). These equations can be solved using an appropriate solver package (Lsoda, Ddassl [12]) with a connected optimization module for parameter estimation. 

There are a number of other formulae for tj which can be easily derived from the above expression and the differential equations of the system. For example, for the spherical catalyst pellet, the mass balance differential equation can be written as ... 

The concentrations in kmol/m may be found also as soon as we know the masses, M,. The concentrations may now be used along with the temperature to calculate the reaction rate densities, ry, y = 1 to M. Now we know the inflow and outflow of each component, and the rate at which it is being produced or used up by the chemical reactions. Hence we may integrate the N mass-balance differential equations forward by one timestep. 

Note that derivations of the mass balance differential equation solutions are not being provided in this chapter, but if you are interested, you are encouraged... 

The mass balance differential equations for the gas phase and the surface species were solved simultaneously as a function of time and discrete position, using a variable step integration algorithm (Gear) [8]. 

The mass balance differential equation in the case of a spherical shell of a pellet yields, instead of Equ. 4.60... 

The physiological compartments of PBPK models are arranged and connected according to anatomical intercompartment blood flows, and the kinetics in each compartment is described by individual mass-balance differential equations. In the simplest case, it is assumed that mass transfer is blood flow limited and compartments are well-stirred spaces. Under this assumption, the rate of change of concentration (C) in a noneliminating tissue (T) maybe described by the following ordinary differential equation ... 

Note The mass balance differential equations used to calculate the values of the differential variables c(i,x) apply to all xdomain apart from x = 0 and x = dif-fusion length where boundary condition equations have already been defined. Thus, the expression For x = 01+ TO diffusionjengthi- DO is used. 

An alternative way of solving this difficulty is the use of dynamical models, based on combinations of first principles and neural networks (NN), called grey-box neural models (GNM). A GNM normally consists of a phenomenological part (heat and/or mass balances differential equations) and an empirical part (a neural network in this work). Due to the inherent flexibility of NN, models based on this structure are well suited to represent complex functions such as those encountered in chemical reaction processes. This work proposes incorporate in the RTO system a dynamical GNM of the... 

---