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{{Context|date=October 2009}}
In [[statistical physics]], the '''Smoluchowski coagulation equation''' is an [[integrodifferential equation]] introduced by [[Marian Smoluchowski]] in a seminal 1916 publication,<ref>{{cite journal|last=Smoluchowski|first=Marian|title=Drei Vorträge über Diffusion, Brownsche Molekularbewegung und Koagulation von Kolloidteilchen|journal=Physik. Z.|year=1916|volume=17|pages=557–571, 585–599|bibcode=1916ZPhy...17..557S}}</ref> describing the [[time evolution]] of the [[number density]] of particles as they coagulate (in this context "clumping together") to size ''x'' at time ''t''.
 
==Equation==
 
In the case when the sizes of the coagulated particles are [[continuous variable]]s, the equation involves an [[integral]]:
 
: <math>\frac{\partial n(x,t)}{\partial t}=\frac{1}{2}\int^x_0K(x-y,y)n(x-y,t)n(y,t)\,dy - \int^\infty_0K(x,y)n(x,t)n(y,t)\,dy.</math>
 
If ''dy'' is interpreted as a discrete [[List of integration and measure theory topics#Intuitive foundations|measure]], i.e. when particles join in [[discrete variable|discrete]] sizes, then the discrete form of the equation is a [[summation]]:
 
: <math>\frac{\partial n(x_i,t)}{\partial t}=\frac{1}{2}\sum^{i-1}_{j=1}
K(x_i-x_j,x_j)n(x_i-x_j,t)n(x_j,t) - \sum^\infty_{j=1}K(x_i,x_j)n(x_i,t)n(x_j,t).</math>
 
==Coagulation kernel==
 
The [[linear operator|operator]], ''K'', is known as the coagulation [[integral kernel|kernel]] and describes the rate at which particles of size ''x'' coagulate with particles of size ''y''.  [[Closed-form expression|Analytic solutions]] to the equation exist when the kernel takes one of three simple forms:
 
: <math>K = 1,\quad K = x + y, \quad K = xy,</math>
 
known as the [[constant (mathematics)|constant]], [[Additive function|additive]], and [[Multiplicative function|multiplicative]] kernels respectively. However, in most practical applications the kernel takes on a significantly more complex form, for example the free-molecular kernel which describes [[collision]]s in a dilute [[gas]]-[[Phase (matter)|phase]] system,
 
: <math>K = \sqrt{\frac{\pi k_b T}{2}}\left(\frac{1}{m(x)}+\frac{1}{m(y)}\right)^{1/2}\left(d(x)+d(y)\right)^2.</math>
 
Generally the coagulation equations that result from such physically realistic kernels are not solvable, and as such, it is necessary to appeal to [[Numerical analysis|numerical methods]]. There exist well-established [[deterministic]] methods that can be used when there is only one particle property (''x'') of interest, the two principal ones being the [[Method of moments (probability theory)|method of moments]] and [[sectional method]]s.  In the [[Multivariable calculus|multi-variate]] case however, when two or more properties (such as size, shape, composition etc.) are introduced,  special approximation methods that suffer less from [[curse of dimensionality]] has to be applied. For instance, approximation based on Gaussian [[radial basis functions]] has been successfully applied to the two-dimensional coagulation equation.<ref>Predicting multidimensional distributive properties of hyperbranched polymer resulting from AB2 polymerization with substitution, cyclization and shielding, I. Kryven, P.D. Iedema, Polymer 54 (14), 3472–3484</ref>
 
When accuracy of the solution is not of primary importance,  [[Monte Carlo method|stochastic particle (Monte-Carlo) methods]] are an attractive alternative.
 
==See also==
*[[Einstein relation (kinetic theory)|Einstein–Smoluchowski relation]]
*[[Smoluchowski factor]]
 
== References ==
{{Reflist}}
 
{{DEFAULTSORT:Smoluchowski Coagulation Equation}}
[[Category:Differential equations]]
[[Category:Polish physicists]]

Revision as of 16:47, 31 August 2013

My name is Jestine (34 years old) and my hobbies are Origami and Microscopy.

Here is my web site; http://Www.hostgator1centcoupon.info/ (support.file1.com) In statistical physics, the Smoluchowski coagulation equation is an integrodifferential equation introduced by Marian Smoluchowski in a seminal 1916 publication,[1] describing the time evolution of the number density of particles as they coagulate (in this context "clumping together") to size x at time t.

Equation

In the case when the sizes of the coagulated particles are continuous variables, the equation involves an integral:

If dy is interpreted as a discrete measure, i.e. when particles join in discrete sizes, then the discrete form of the equation is a summation:

Coagulation kernel

The operator, K, is known as the coagulation kernel and describes the rate at which particles of size x coagulate with particles of size y. Analytic solutions to the equation exist when the kernel takes one of three simple forms:

known as the constant, additive, and multiplicative kernels respectively. However, in most practical applications the kernel takes on a significantly more complex form, for example the free-molecular kernel which describes collisions in a dilute gas-phase system,

Generally the coagulation equations that result from such physically realistic kernels are not solvable, and as such, it is necessary to appeal to numerical methods. There exist well-established deterministic methods that can be used when there is only one particle property (x) of interest, the two principal ones being the method of moments and sectional methods. In the multi-variate case however, when two or more properties (such as size, shape, composition etc.) are introduced, special approximation methods that suffer less from curse of dimensionality has to be applied. For instance, approximation based on Gaussian radial basis functions has been successfully applied to the two-dimensional coagulation equation.[2]

When accuracy of the solution is not of primary importance, stochastic particle (Monte-Carlo) methods are an attractive alternative.

See also

References

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  2. Predicting multidimensional distributive properties of hyperbranched polymer resulting from AB2 polymerization with substitution, cyclization and shielding, I. Kryven, P.D. Iedema, Polymer 54 (14), 3472–3484