Search results for " equilibrium"
showing 10 items of 533 documents
Molecular dynamics simulations of elementary chemical processes in liquid water using combined density functional and molecular mechanics potentials.…
1997
The first molecular dynamics (MD) simulation of a chemical process in solution with an ab initio description of the reactant species and a classical representation of the solvent is presented. We study the dynamics of proton (deuterium) transfer in strongly hydrogen-bonded systems characterized by an energy surface presenting a double well separated by a low activation barrier. We have chosen the hydroxyl-water complex in liquid water to analyze the coupling between the reactive system and the environment. The proton is transferred from one well to the other with a frequency close to 1 ps−1 which is comparable to the low-frequency band associated to hindered translations, diffusional transl…
Boundary Behavior of Harmonic Functions on Gromov Hyperbolic Manifolds
2013
Inflation dynamics in a model with firm entry and (some) heterogeneity
2014
We analyse the incidence of endogenous entry and firm TFP-heterogeneity on the response of aggregate inflation to exogenous shocks. We build up an otherwise standard DSGE model in which the number of firms is endogenously determined and firms differ in their steady state level of productivity. This splits the industry structure into firms of different sizes. Calibrating the different transition rates, across firm sizes and out of the market we reproduce the main features of the distribution of firms in Spain. We then compare the inflation response to technology, interest rate and entry cost shocks, among others. We find that structures in which large (more productive) firms predominate tend…
Macroeconomic Modelling in EMU: How Relevant is the Change in Regime?
2007
We analyse the likely effects of changes in the monetary and financial regimes of EMU countries on the dynamics of output and inflation. In particular, we evaluate the impact of the regime shift on the forecasting performance of reduced-form models. Data for both the pre-EMU and the EMU regimes are generated by a relatively standard open-economy-DSGE model with sticky prices and wages and restricted access to financial markets for some individuals. We find that the effects of the shift in the monetary regime on the processes followed by macroeconomic variables depend on the nature of the shocks hitting the economy. For plausible shocks distributions the reduction in the accuracy of VAR-base…
Effects of Fiscal Stimulus in Structural Models
2010
The paper assesses, using seven structural models used heavily by policymaking institutions, the effectiveness of temporary fiscal stimulus. Models can, more easily than empirical studies, account for differences between fiscal instruments, for differences between structural characteristics of the economy, and for monetary-fiscal policy interactions. Findings are: (i) There is substantial agreement across models on the sizes of fiscal multipliers. (ii) The sizes of spending and targeted transfers multipliers are large. (iii) Fiscal policy is most effective if it has some persistence and if monetary policy accommodates it. (iv) The perception of permanent fiscal stimulus leads to significant…
A formal model based on Game Theory for the analysis of cooperation in distributed service discovery
2016
New systems can be designed, developed, and managed as societies of agents that interact with each other by offering and providing services. These systems can be viewed as complex networks where nodes are bounded rational agents. In order to deal with complex goals, they require cooperation of the other agents to be able to locate the required services. The aim of this paper is formally and empirically analyze under which circumstances cooperation emerges in decentralized search of services. We propose a repeated game model that formalizes the interactions among agents in a search process where agents are free to choose between cooperate or not in the process. Agents make decisions based on…
Interaction of Zn(II) and Cd(II) with Large Polyazacycloalkanes in dmso/H2O (80:20 vol./vol.). A potentiometric Study.
1990
Abstract A potentiometric study on the interaction at 25 °C and 0.15 mol dm −3 between large polyazacycloalkanes of the series [3 k ]aneN k and Zn(II) and Cd(II) ions in dmso:H 2 O (80:20 vol./vol.) is reported. The protonation behavior of the free macrocycles and coordination trends are compared with those previously observed in aqueous solution. The main features observed in the mixed solvent are: similar protonation behavior of the free polyamines, greater tendency to form binuclear and protonated complexes and a lower tendency to bear hydrolytic reactions.
Understanding the shortcomings of commodity-based technology in input-output models: an economic-circuit approach
2004
International audience; The Make-Use Model serves as a basis for most national accounting systems as the System of National Accounts (SNA) and is acknowledged as the most suitable model for interregional analysis. Two hypotheses are traditionally made featuring either industry-based technologies (IBT) or commodity-based technologies (CBT). While industry-based technologies can be easily interpreted in terms of a demand-driven economic circuit, it will be shown that: (1) commodity-based technologies cannot be interpreted as a demand-driven economic circuit because this involves computing the inverse of a matrix (the matrix of industry output proportions), which is either impossible or genera…
Cooperative Inventory control
2005
In multi-retailer inventory control the possibility of sharing setup costs motivates communication and coordination among the retailers. We solve the problem of finding suboptimal distributed reordering policies that minimize setup, ordering, storage, and shortage costs incurred by the retailers over a finite horizon. Neuro-dynamic programming (NDP) reduces the computational complexity of the solution algorithm from exponential to polynomial on the number of retailers.
Donnan equilibrium of ionic drugs in pH-dependent fixed charge membranes: theoretical modeling.
2002
Abstract We have studied theoretically the partition equilibrium of a cationic drug between an electrolyte solution and a membrane with pH-dependent fixed charges using an extended Donnan formalism. The aqueous solution within the fixed charge membrane is assumed to be in equilibrium with an external aqueous solution containing six ionic species: the cationic drug (DH + ), the salt cations (Na + and Ca 2+ ), the salt anion (Cl − ), and the hydrogen and hydroxide ions. In addition to these mobile species, the membrane solution may also contain four fixed species attached to the membrane chains: strongly acid sulfonic groups (SO 3 − ), weakly acid carboxylic groups in dissociated (COO − ) a…