Related papers: Advanced quasi-steady state approximation for chem…
Quantum computational fluid dynamics (QCFD) offers a promising alternative to classical computational fluid dynamics (CFD) by leveraging quantum algorithms for higher efficiency. This paper introduces a comprehensive QCFD method, including…
The general theory of a complex system of nonlinear chemical reactions is a primary language of chemistry that includes chemical engineering and cellular biochemistry. Its significance as an analytical framework, however, has not been fully…
Turbulent flow has been extensively studied using computational fluid dynamics (CFD) simulations since turbulent flow regime is so frequently encountered in both academic and engineering applications. The high-fidelity simulation of the…
We describe a new computational method for the numerically stable particle-based simulation of open-boundary flows, including volume conserving chemical reactions. The novel method is validated for the case of heterogeneous catalysis…
When a system has more than one stable state, how can the stability of these states be compared? This deceptively simple question has important consequences for ecosystems, because systems with alternative stable states can undergo dramatic…
The evolution to the steady state of a granular gas subject to simple shear flow is analyzed by means of computer simulations. It is found that, regardless of its initial preparation, the system reaches (after a transient period lasting a…
We introduce an algebra qCCS of pure quantum processes in which no classical data is involved, communications by moving quantum states physically are allowed, and computations is modeled by super-operators. An operational semantics of qCCS…
The application of the quasi-steady-state approximation to the Michaelis-Menten reaction embedded in large open chemical reaction networks is a popular model reduction technique in deterministic and stochastic simulations of biochemical…
A full viscous quantum hydrodynamic system for particle density, current density, energy density and electrostatic potential coupled with a Poisson equation in one dimensional bounded intervals is studied. First, the existence and…
We study chemical reactions with complex mechanisms under two assumptions: (i) intermediates are present in small amounts (this is the quasi-steady-state hypothesis or QSS) and (ii) they are in equilibrium relations with substrates (this is…
This paper has a dual purpose. One aim is to study the evolution of coherent states in ordinary quantum mechanics. This is done by means of a Hamiltonian approach to the evolution of the parameters that define the state. The stability of…
We analyze the standard model of enzyme-catalyzed reactions at various substrate-enzyme ratios to identify the regions of validity of the quasi-steady-state approximation. Certain prevalent conditions are checked and compared against the…
A "quasiclassical" approximation to the quantum spectrum of the Schroedinger equation is obtained from the trace of a quasiclassical evolution operator for the "hydrodynamical" version of the theory, in which the dynamical evolution takes…
Turbulent dynamical systems characterized by both a high-dimensional phase space and a large number of instabilities are ubiquitous among many complex systems in science and engineering. The existence of a strange attractor in the turbulent…
A systematic model development for oil flow in quasi-3D (1D + 2D) is presented. Our approach provides a unified modeling scheme. Besides, additional terms are obtained, which allows for tubing area variation along the flow direction. The…
We report the quantum computing of reacting flows by simulating the Hamiltonian dynamics. The scalar transport equation for reacting flows is transformed into a Hamiltonian system, mapping the dissipative and non-Hermitian problem in…
Accurate frequency estimation is critical for the control, monitoring and protection of electrical power systems, in particular, of systems with a high penetration of power electronics. This paper introduces the novel concept of Quasi…
This work primarily focuses on an operator inference methodology aimed at constructing low-dimensional dynamical models based on a priori hypotheses about their structure, often informed by established physics or expert insights. Stability…
In recent years, the modeling interest has increased significantly from the molecular level to the atomic and quantum scale. The field of computational chemistry plays a significant role in designing computational models for the operation…
The quasi-steady-state approximation is widely used to develop simplified deterministic or stochastic models of enzyme catalyzed reactions. In deterministic models, the quasi-steady-state approximation can be mathematically justified from…