formulasearchengine - User contributions [en]

First-order logic

2014-02-22T23:00:08Z

76.126.208.104: insert missing "the"

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Meta-analysis

2014-01-11T19:15:32Z

76.126.58.150:

The '''standard enthalpy of combustion''' is the [[enthalpy]] change when one [[mole (unit)|mole]] of a reactant completely burns in excess oxygen under [[Standard conditions for temperature and pressure|standard thermodynamic conditions]] (although experimental values are usually obtained under different conditions and subsequently adjusted). By definition, the combustion reactions are always particularly [[exothermic]] and so enthalpies of combustion are always negative, although the values for individual combustions may vary.

The most common way of calculating the enthalpy change of combustion (or formation) is by using a Hess cycle or by using numerical based bond enthalpies. It is commonly denoted as <math>\Delta H ^{\circ} _{\mathrm{comb}}</math> or <math>\Delta H ^{\circ}_{\mathrm{c}}</math>.
When the enthalpy required is not a combustion, it can be denoted as <math>\Delta H ^{\circ} _{\mathrm{total}}</math>. Enthalpies of combustion are typically measured using [[calorimeter|bomb calorimetry]], and have units of energy (typically kJ); strictly speaking, the enthalpy change per mole of substance combusted is the standard ''molar'' enthalpy of combustion (which typically would have units of kJ mol−1).

== Alcohols and alkanes ==
For alcohols and alkanes containing the same number of carbon atoms, e.g. [[methane]] (CH4) and [[methanol]] (CH3OH), for which the standard enthalpy change of the alkane would be more negative than the alcohol (<math>\Delta H ^{\circ}_{\mathrm{c}} [\mathrm{CH_{4 (g)}}]</math> = −890.3 kJ mol−1, <math>\Delta H ^{\circ}_{\mathrm{c}}[\mathrm{CH_3OH_{(l)}}]</math> = −726.0 kJ mol−1).

Since the complete combustion of both of these carbon compounds produce carbon dioxide (CO2) and water (H2O), there is more bond-breaking and bond-making when methane is burnt. The presence of an [[Hydroxide|-OH]] bond on methanol means that there is less bond-breaking and bond-making to produce water compared to methane.<ref>Edexcel AS Chemistry by Ann Fullick and Bob McDuell</ref>

==References==
{{reflist}}

==External links==
* [http://webbook.nist.gov/chemistry/ NIST Chemistry WebBook]

[[Category:Enthalpy]]

{{chem-stub}}

Specific speed

2014-01-08T08:02:08Z

76.126.104.157: rewrite intro paragraph for clarity and readability. Change "adimensional parameter" to "dimensionless quantity" (more common contemporary usage)

'''Flux limiters''' are used in [[high resolution scheme]]s – numerical schemes used to solve problems in science and engineering, particularly [[fluid dynamics]], described by [[partial differential equations]] (PDE's). They are used in high resolution schemes, such as the [[MUSCL scheme]], to avoid the spurious oscillations (wiggles) that would otherwise occur with high order spatial discretization schemes due to shocks, discontinuities or sharp changes in the solution domain. Use of flux limiters, together with an appropriate high resolution scheme, make the solutions [[total variation diminishing]] (TVD).

Note that flux limiters are also referred to as '''slope limiters''' because they both have the same mathematical form, and both have the effect of limiting the solution gradient near shocks or discontinuities. In general, the term flux limiter is used when the limiter acts on system ''[[flux]]es'', and slope limiter is used when the limiter acts on system ''states'' (like pressure, velocity etc.).

==How they work==
The main idea behind the construction of flux limiter schemes is to limit the spatial derivatives to realistic values – for scientific and engineering problems this usually means physically realisable and meaningful values. They are used in [[high resolution scheme]]s for solving problems described by PDEs and only come into operation when sharp wave fronts are present. For smoothly changing waves, the flux limiters do not operate and the spatial derivatives can be represented by higher order approximations without introducing spurious oscillations. Consider the 1D [[semi-discrete scheme]] below,

:<math>\frac{d u_i}{d t} + \frac{1}{\Delta x_i} \left[
F \left( u_{i + \frac{1}{2}} \right) - F \left( u_{i - \frac{1}{2}} \right) \right] =0, </math>

where, <math> F \left( u_{i + \frac{1}{2}} \right) \ </math> and <math> F \left( u_{i - \frac{1}{2}} \right) \ </math> represent edge fluxes for the ''ith'' cell. If these edge fluxes can be represented by ''low'' and ''high'' resolution schemes, then a flux limiter can switch between these schemes depending upon the gradients close to the particular cell, as follows,

:<math>F \left( u_{i + \frac{1}{2}} \right) = f^{low}_{i + \frac{1}{2}} - \phi\left( r_i \right)
\left( f^{low}_{i + \frac{1}{2}} - f^{high}_{i + \frac{1}{2}} \right)</math>,
:<math>F \left( u_{i - \frac{1}{2}} \right) = f^{low}_{i - \frac{1}{2}} - \phi\left( r_{i-1} \right)
\left( f^{low}_{i - \frac{1}{2}} - f^{high}_{i - \frac{1}{2}} \right)</math>,

where

:<math>f^{low} = \ </math> low precision, high resolution flux,
:<math>f^{high} = \ </math> high precision, low resolution flux,
:<math> \phi\ (r) = \ </math> flux limiter function,

and <math> r\ </math> represents the ratio of successive gradients on the solution mesh, i.e.,

:<math> r_{i} = \frac{u_{i} - u_{i-1}}{u_{i+1} - u_{i}} </math>.

The limiter function is constrained to be greater than or equal to zero, i.e., <math>\phi\ (r) \ge 0 </math>. Therefore, when the limiter is equal to zero (sharp gradient, opposite slopes or zero gradient), the flux is represented by a ''low resolution scheme''. Similarly, when the limiter is equal to 1 (smooth solution), it is represented by a ''high resolution scheme''. The various limiters have differing switching characteristics and are selected according to the particular problem and solution scheme. No particular limiter has been found to work well for all problems, and a particular choice is usually made on a trial and error basis.

==Limiter functions==

The following are common forms of flux/slope limiter function, <math> \phi\ (r) </math>:

'''CHARM''' [not 2nd order TVD] (Zhou, 1995)

:<math>
\phi_{cm}(r)=\left\{ \begin{array}{ll}
\frac{r\left(3r+1\right)}{\left(r+1\right)^{2}}, \quad r>0, \quad\lim_{r\rightarrow\infty}\phi_{cm}(r)=3 \\
0 \quad \quad\, , \quad r\le 0
\end{array}\right.
</math>

'''HCUS''' [not 2nd order TVD] (Waterson & Deconinck, 1995)

:<math> \phi_{hc}(r) = \frac{ 1.5 \left(r+\left| r \right| \right)}{ \left(r+2 \right)} ; \quad \lim_{r \rightarrow \infty}\phi_{hc}(r) = 3</math>.

'''HQUICK''' [not 2nd order TVD] (Waterson & Deconinck, 1995)

:<math> \phi_{hq}(r) = \frac{2 \left(r + \left|r \right| \right)}{ \left(r+3 \right)} ; \quad \lim_{r \rightarrow \infty}\phi_{hq}(r) = 4</math>.

'''Koren''' (Koren, 1993) – third-order accurate for sufficiently smooth data<ref>{{Citation | first=D. |last=Kuzmin |title=On the design of general-purpose flux limiters for implicit FEM with a consistent mass matrix. I. Scalar convection |journal=Journal of Computational Physics |volume=219 |issue=2 |year=2006 |pages=513–531 |doi=10.1016/j.jcp.2006.03.034 |bibcode = 2006JCoPh.219..513K }}</ref>

:<math> \phi_{kn}(r) = \max \left[ 0, \min \left(2 r, \left(1 + 2r \right)/3, 2 \right) \right]; \quad \lim_{r \rightarrow \infty}\phi_{kn}(r) = 2</math>.

'''minmod''' – symmetric ([[Philip L. Roe|Roe]], 1986)

:<math> \phi_{mm} (r) = \max \left[ 0 , \min \left( 1 , r \right) \right] ; \quad \lim_{r \rightarrow \infty}\phi_{mm}(r) = 1</math>.

'''monotonized central (MC)''' – symmetric (van Leer, 1977)

:<math> \phi_{mc} (r) = \max \left[ 0 , \min \left( 2 r, 0.5 (1+r), 2 \right) \right] ; \quad \lim_{r \rightarrow \infty}\phi_{mc}(r) = 2</math>.

'''Osher''' (Chatkravathy and [[Stanley Osher|Osher]], 1983)

:<math> \phi_{os} (r) = \max \left[ 0 , \min \left( r, \beta \right) \right], \quad \left(1 \leq \beta \leq 2 \right) ; \quad \lim_{r \rightarrow \infty}\phi_{os} (r) = \beta</math>.

'''ospre''' – symmetric (Waterson & Deconinck, 1995)

:<math> \phi_{op} (r) = \frac{1.5 \left(r^2 + r \right) }{\left(r^2 + r +1 \right)} ; \quad \lim_{r \rightarrow \infty}\phi_{op} (r) = 1.5</math>.

'''smart''' [not 2nd order TVD] (Gaskell & Lau, 1988)

:<math> \phi_{sm}(r) = \max \left[ 0, \min \left(2 r, \left(0.25 + 0.75 r \right), 4 \right) \right] ; \quad \lim_{r \rightarrow \infty}\phi_{sm}(r) = 4</math>.

'''superbee''' – symmetric (Roe, 1986)

:<math> \phi_{sb} (r) = \max \left[ 0, \min \left( 2 r , 1 \right), \min \left( r, 2 \right) \right] ; \quad \lim_{r \rightarrow \infty}\phi_{sb} (r) = 2</math>.

'''Sweby''' – symmetric (Sweby, 1984)

:<math> \phi_{sw} (r) = \max \left[ 0 , \min \left( \beta r, 1 \right), \min \left( r, \beta \right) \right], \quad \left(1 \leq \beta \leq 2 \right) ; \quad \lim_{r \rightarrow \infty}\phi_{sw} (r) = \beta</math>.

'''UMIST''' (Lien & Leschziner, 1994)

:<math> \phi_{um}(r) = \max \left[ 0, \min \left(2 r, \left(0.25 + 0.75 r \right), \left(0.75 + 0.25 r \right), 2 \right) \right] ; \quad \lim_{r \rightarrow \infty}\phi_{um}(r) = 2</math>.

'''van Albada 1''' – symmetric (van Albada, et al., 1982)

:<math> \phi_{va1} (r) = \frac{r^2 + r}{r^2 + 1 } ; \quad \lim_{r \rightarrow \infty}\phi_{va1} (r) = 1</math>.

'''van Albada 2''' – alternative form [not 2nd order TVD] used on high spatial order schemes (Kermani, 2003)

:<math> \phi_{va2} (r) = \frac{2 r}{r^2 + 1} ; \quad \lim_{r \rightarrow \infty}\phi_{va2} (r) = 0</math>.

'''van Leer''' – symmetric ([[Bram van Leer|van Leer]], 1974)

:<math> \phi_{vl} (r) = \frac{r + \left| r \right| }{1 + \left| r \right| } ; \quad \lim_{r \rightarrow \infty}\phi_{vl} (r) = 2</math>.

All the above limiters indicated as being ''symmetric'', exhibit the following symmetry property,

:<math>\frac{ \phi \left( r \right)}{r} = \phi \left( \frac{1}{r} \right) </math>.

This is a desirable property as it ensures that the limiting actions for forward and backward gradients operate in the same way.

[[File:LimiterRegion.png|thumb|Admissible limiter region for second-order TVD schemes.|200px|right|Admissible limiter region for second-order TVD schemes.]]

Unless indicated to the contrary, the above limiter functions are second order [[total variation diminishing|TVD]]. This means that they are designed such that they pass through a certain region of the solution, known as the TVD region, in order to guarantee stability of the scheme. Second-order, TVD limiters satisfy at least the following criteria:

*<math> r \le \phi(r) \le 2r, \left( 0 \le r \le 1 \right) \ </math>,
*<math> 1 \le \phi(r) \le r, \left( 1 \le r \le 2 \right) \ </math>,
*<math> 1 \le \phi(r) \le 2, \left( r > 2 \right) \ </math>,
*<math> \phi(1) = 1 \ </math>,

The admissible limiter region for second-order TVD schemes is shown in the ''Sweby Diagram'' opposite (Sweby, 1984), and plots showing limiter functions overlaid onto the TVD region are shown below. In this image, plots for the Osher and Sweby limiters have been generated using <math> \beta = 1.5 </math>.

<center>
[[File:LimiterPlots1.png|thumb|Limiter functions overlaid onto second-order TVD region.|650px|none|Limiter functions overlaid onto second-order TVD region.]]
</center>

=== Generalised minmod limiter ===

An additional limiter that has an interesting form is the van-Leer's one-parameter family of minmod limiters (van Leer, 1979; Harten and Osher, 1987; Kurganov and Tadmor, 2000). It is defined as follows

:<math> \phi_{mg}(u,\theta)=\textrm{minmod}\left(\theta\frac{u_{i}-u_{i-1}}{\Delta x},\;\frac{u_{i+1}-u_{i-1}}{2\Delta x},\;\theta\frac{u_{i+1}-u_{i}}{\Delta x}\right),\quad\theta\in\left[1,2\right], </math>

where the multivariable minmod limiter is defined as

:<math> \textrm{minmod}\left(z_{1},z_{2},\cdots\right):=\left\{ \begin{array}{cc}
\min_{j}\quad & \textrm{if}\quad z_{j}>0\quad \forall j\\
\max_{j\quad} & \textrm{if}\quad z_{j}<0\quad \forall j\\
0 & \textrm{otherwise}\end{array}\right. . </math>
'''Note:''' <math> \phi_{mg} \ </math>  is most dissipative for   <math> \theta=1, \ </math>   when it reduces to <math>\phi_{mm}, \ </math>   and is least dissipative for   <math> \theta=2 \ </math>.

==See also==

*[[Godunov's theorem]]
*[[High resolution scheme]]
*[[MUSCL scheme]]
*[[Sergei K. Godunov]]
*[[Total variation diminishing]]

==Notes==
{{reflist}}

==References==
*{{citation |last1=Chakravarthy |first1=S.R. |last2=Osher |first2=S. |year=1983 |contribution=High resolution applications of the Osher upwind scheme for the Euler equations |id=AIAA Paper 83-1943 | title=Proc. AIAA 6th Computational Fluid Dynamics Conference |pages=363–373 |url=http://www.aiaa.org/content.cfm?pageid=406&gTable=mtgpaper&gID=55466 }}
*{{citation |last1=Gaskell |first1=P.H. |first2=A.K.C. |last2=Lau |year=1988 |title=Curvature-compensated convective transport: SMART, a new boundedness-preserving transport algorithm |journal=Int. J. Num. Meth. Fluids |volume=8 |page=617–641 |doi=10.1002/fld.1650080602 |issue=6|bibcode = 1988IJNMF...8..617G }}
*{{citation |last1=Harten |first1=A. |first2=S. |last2=Osher |year=1987 |title=Uniformly high-order accurate nonoscillatory schemes. I |journal=SIAM J. Numer. Anal. |volume=24 |pages=279–309 |doi=10.1137/0724022 |issue=2 |bibcode = 1987SJNA...24..279H }}
*{{citation |last=Hirsch |first=C. |year=1990 |title=Numerical Computation of Internal and External Flows. Volume 2: Computational Methods for Inviscid and Viscous Flows |publisher=Wiley }}
*{{citation |last1=Kermani |first1=M.J. |last2=Gerber |first2=A.G. |last3=Stockie |first3=J.M. |year=2003 |contribution=Thermodynamically Based Moisture Prediction Using Roe’s Scheme |title=4th Conference of Iranian AeroSpace Society |location=Amir Kabir University of Technology, Tehran, Iran, January 27–29 }}
*{{citation |last=Koren |first=B. |year=1993 |contribution=A robust upwind discretisation method for advection, diffusion and source terms |title=Numerical Methods for Advection–Diffusion Problems |editor1-first=C.B. |editor1-last=Vreugdenhil |editor2-first=B. |editor2-last=Koren |publisher=Vieweg |location=Braunschweig |page=117 |isbn=3-528-07645-3 }}
*{{citation |last1=Kurganov |first1=A. |first2=E. |last2=Tadmor |year=2000 |title=Solution of Two-Dimensional Riemann problems for Gas Dynamics without Riemann Problem Solvers |publisher=Report by Dept. of Mathematics, Univ. Michigan }} Available on-line at: [http://citeseer.ist.psu.edu/410715.html CiteSeer].
*{{citation |last1=Lien |first1=F.S. |first2=M.A. |last2=Leschziner |year=1994 |title=Upstream monotonic interpolation for scalar transport with application to complex turbulent flows |journal=Int. J. Num. Meth. Fluids |volume=19 |pages=527–548 |doi=10.1002/fld.1650190606 |issue=6 |bibcode = 1994IJNMF..19..527L }}
*{{citation |last1=Leonard |first1=B.P. |first2=M.A. |last2=Leschziner |first3=J. |last3=McGuirk |year=1978 |contribution=The QUICK algorithm: a uniformly 3rd-order finite-difference method for highly convective flows |title=Proc. 1st Conf. on Numerical Methods in Laminar & Turbulent Flow |location=Swansea |page=807 }}
*{{citation |last=Roe |first=P.L. |year=1986 |title=Characteristic-based schemes for the Euler equations |journal=Ann. Rev. Fluid Mech. |volume=18 |pages=337–365 |doi=10.1146/annurev.fl.18.010186.002005 |bibcode = 1986AnRFM..18..337R }}
*{{citation |last=Sweby |first=P.K. |year=1984 |title=High resolution schemes using flux-limiters for hyperbolic conservation laws |journal=SIAM J. Num. Anal.| volume=21 |pages=995–1011 |doi=10.1137/0721062 |issue=5 |bibcode = 1984SJNA...21..995S }}
*{{citation |last1=Van Albada |first1=G.D. |first2=B. |last2=Van Leer |first3=W.W. |last3=Roberts |year=1982 |title=A comparative study of computational methods in cosmic gas dynamics |journal=Astronomy and Astrophysics |volume=108 |pages=76–84 |bibcode=1982A&A...108...76V }}
*{{citation |last=Van Leer |first=B. |year=1974 |title=Towards the ultimate conservative difference scheme II. Monotonicity and conservation combined in a second order scheme |journal=J. Comp. Phys. |volume=14 |pages=361–370 |doi=10.1016/0021-9991(74)90019-9 |issue=4 |bibcode = 1974JCoPh..14..361V }}
*{{citation |last=Van Leer |first=B. |year=1977 |title=Towards the ultimate conservative difference scheme III. Upstream-centered finite-difference schemes for ideal compressible flow |journal=J. Comp. Phys. |volume=23 |pages=263–275 |doi=10.1016/0021-9991(77)90094-8 |issue=3 |bibcode = 1977JCoPh..23..263V }}
*{{citation |last=Van Leer |first=B. |year=1979 |title=Towards the ultimate conservative difference scheme V. A second order sequel to Godunov's method |journal=J. Comp. Phys. |volume=32 |pages=101–136 |doi=10.1016/0021-9991(79)90145-1 |bibcode = 1979JCoPh..32..101V }}
*{{citation |last1=Waterson |first1=N.P. |first2=H. |last2=Deconinck |year=1995 |title=A unified approach to the design and application of bounded higher-order convection schemes |type=[[Von Karman Institute|VKI]] Preprint 1995-21 }}
*{{citation |last=Zhou |first=G. |year=1995 |title=Numerical simulations of physical discontinuities in single and multi-fluid flows for arbitrary Mach numbers |type=PhD Thesis |publisher=Chalmers Univ. of Tech. |location=Goteborg, Sweden }}

==Further reading==

*{{citation |last=Hirsch |first=C. |year=1990 |title=Numerical Computation of Internal and External Flows, Volume 2: Computational Methods for Inviscid and Viscous Flows |publisher=Wiley |isbn=978-0-471-92452-4 }}
*{{citation |last=Laney |first=Culbert B. |year=1998 |title=Computational Gasdynamics |publisher=Cambridge University Press |doi=10.2277/0521570697 |isbn=978-0-521-57069-5 }}
*{{citation |last=LeVeque |first=Randall |year=1990 |title=Numerical Methods for Conservation Laws |series=ETH Lectures in Mathematics Series |publisher=Birkhauser-Verlag |isbn=3-7643-2464-3 }}
*{{citation |last=LeVeque |first=Randall |year=2002 |title=Finite Volume Methods for Hyperbolic Problems |publisher=Cambridge University Press |isbn=0-521-00924-3 }}
*{{citation |last=Toro |first=E.F. |year=1999 |title=Riemann Solvers and Numerical Methods for Fluid Dynamics |publisher=Springer-Verlag |edition=2nd |isbn=3-540-65966-8 }}
*{{citation | last1=Tannehill |first1=John C. |first2=Dale Arden |last2=Anderson |first3=Richard H. |last3=Pletcher |year=1997 |title=Computational Fluid Mechanics and Heat Transfer |edition=2nd |publisher=Taylor and Francis |isbn=1-56032-046-X }}
*{{citation |last=Wesseling |first=Pieter |year=2001 |title=Principles of Computational Fluid Dynamics |publisher=Springer-Verlag |isbn=3-540-67853-0 }}

[[Category:Computational fluid dynamics]]
[[Category:Numerical differential equations]]

Ribbon category

2013-12-11T22:46:22Z

76.126.11.81:

{{Infobox enzyme
| Name = Achilleol B synthase
| EC_number = 5.4.99.48
| CAS_number =
| IUBMB_EC_number = 5/4/99/48
| GO_code =
| image =
| width =
| caption =
}}
'''Achilleol B synthase''' ({{EC number|5.4.99.48}}) is an [[enzyme]] with system name ''(3S)-2,3-epoxy-2,3-dihydrosqualene mutase (cyclizing, achilleol-B-forming)''.<ref>{{cite journal | title = Triterpene cyclases from Oryza sativa L.: cycloartenol, parkeol and achilleol B synthases |author = Ito, R., Mori, K., Hashimoto, I., Nakano, C., Sato, T. and Hoshino, T. |journal = Org. Lett. |year = 2011 |volume = 13 |pages = 2678–2681 |pmid = 21526825}}</ref> This enzyme [[catalysis|catalyses]] the following [[chemical reaction]]

: (3S)-2,3-epoxy-2,3-dihydrosqualene <math>\rightleftharpoons</math> achilleol B

Achilleol B is probably formed by cleavage of the 8-14 and 9-10 bonds of (3S)-2,3-epoxy-2,3-dihydrosqualene.

== References ==
{{reflist}}

== External links ==
* {{MeshName|Achilleol+B+synthase}}

[[Category:EC 5.4.99]]

Almost everywhere

2012-07-31T02:08:34Z

76.126.195.3: The "null set" has no members. See http://www.britannica.com/EBchecked/topic/422229/null-set.

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