Search Results for "equilibrium"

Do you work with chemical reactors? Are you curious about them? ASALI is the open-source code that you are looking for. Chemical reactor models, transport/thermodynamic properties of gases, equilibrium calculations. ASALI couples all these features with an user friendly graphical interface. Modeling chemical reactors has never been so easy.

News: active RMG development has moved to github https://github.com/RMGDFT News: V4.1.0 released on 09/29/2020 News: V4.0.0 released on 09/01/2020 with major updates. News: V3.0.0 released on 06/09/2018 with major updates. News: V2.2.2 released on 10/14/2017 with minor bug fixes. News: V2.2 with performance enhancements, bug fixes and new features released on 06/26/2017. Sources are available with binaries to follow soon. News: V2.1 with many improvements released on...

...The application of the code is described in our article titled "A Thermodynamically consistent model of the post-translational Kai circadian clock", which is freely available at the open access journal PLOS Computational Biology: https://doi.org/10.1371/journal.pcbi.1005415 *UPDATE* We made a fully reversible version of our model, including the inverse reactions for ATP hydrolysis. This makes it possible to run the model at thermodynamic equilibrium. This version of the model can be downloaded under KMC_KaiC_Rev.zip. If you like to use our model for your own research, please cite our PLoS Computational Biology paper.

Given the importance of anthropogenic determinants in forest ecosystems within Europe, the objective of the FFSM++ model is to link the evidence arising from biological models with socio-economic determinants, where the expected returns of forest investments represent the main drivers. An (inventory-based) forest dynamic model is hence coupled with a (partial equilibrium) market module and a (micro-based) management one in a national level forest sector model for France (FFSM++). The model is fully open source (GPL3) with the sole exception that if you publish some document based on a modified version of FFSM++ you need to publish also the modifications you made.

Monte Carlo simulations of various classes of asymmetric exclusion processes (ASEP) with open and periodic boundaries. ASEP is a paradigmatic model of non equilibrium statistical mechanics. It can be utilized to model various non-equilibrium phenomena in Biology such as molecular motor transport and protein synthesis. The code's comments will be gradually expanded upon; if there are mistaken or unclear comments they will be corrected. We cannot give an estimation as to when because this is a side-project of ours, and the comments are not crucial to the code's workings.

Elastic network models (ENMs) have been shown to generate the dominant functional equilibrium motions of biomolecules quickly and efficiently. MAVEN simplifies ENM generation, allows for diverse models to be used, and facilitates useful analyses.

Content Addressable Memory, Multi-Variate Statistics, Data Mining Includes analyzing datasets, extracting patterns, creating empirical expert system. Computes joint probabilities and implements a "belief" as the solution of an equilibrium equation

Numerical Resolution of the Inverse Problem for Chromatography using Evolutionary Algorithms and Adaptive Multiresolution. The goal is to identify the multicomponent equilibrium isotherm from experimental chromatograms.

This program simulates the performance of the supersonic continuous wave chemical laser by solving 2D-system of Navier-Stokes equations in slender-jet approximation that includes multi-component diffusion, non-equilibrium chemical reactions and radiation