Spatial Simulation Engine

AcaysiaDRT

3D spatial simulation engine for physical process unit operations. Extends AcaysiaRT with Lattice Boltzmann transport for full 3D spatial modeling of any unit-op class in the Acaysia typed process ontology. Chemical reactors are the current proven class. Enables digital twin capabilities for industrial process design, optimization, and predictive maintenance.

Scale

nL - 100s L

Microfluidics to industrial scale reactor simulation in a single framework.

LBM Stencil

D3Q19

Full 3D velocity space with BGK collision operator for accurate transport physics.

Accuracy

2nd Order Spatial

Second-order spatial accuracy with BGK collision for reliable simulation results.

Coupling

Strang Splitting

Operator splitting for accurate transport-reaction coupling in complex systems.

Architecture

Technical Specifications

Transport

Transport Physics

D3Q19 Lattice Boltzmann with BGK collision. Bounce-back and interpolated boundary conditions. Variable viscosity and diffusivity fields. Thermal LBM for temperature-dependent reactions.

Reactors

Industrial Reactor Types

Continuous stirred-tank reactors (CSTR). Plug flow reactors (PFR). Batch and semi-batch reactors. Microfluidic and lab-on-chip devices.

GPU

GPU Implementation

Structure-of-Arrays memory layout. Multi-GPU domain decomposition. Overlapped communication and compute. Adaptive mesh refinement (AMR) support.

Output

Visualization & Export

ParaView/VTK compatible output. napari plugin for live visualization. USD export for 3D platforms. Time-series animation export.

Applications

Digital Twin Use Cases

Design

Virtual Commissioning

Test reactor configurations and control strategies before physical deployment. Reduce commissioning time and identify design issues early.

Optimization

Process Optimization

Explore operating conditions across the full parameter space. Identify optimal setpoints for yield, selectivity, and energy efficiency.

Maintenance

Predictive Maintenance

Model fouling, catalyst deactivation, and equipment degradation. Predict maintenance windows and optimize turnaround scheduling.

Roadmap

Control System Integration

Future integration with the Acaysia control system will enable predictive control strategies built on full spatial awareness of process dynamics.

Integration

Ecosystem Integration

Cloud

Cloud Deployment

Kubernetes-native orchestration across AWS, Azure, and GCP. Auto-scaling GPU clusters with S3/Blob storage integration and REST API for job submission.

Visualization Ecosystem

Real-time streaming to ParaView and napari visualization clients. OpenUSD scene description export. VR/AR-ready spatial data formats.

Get Started

3D Simulation Made Simple

Full spatial reactor simulation in just a few lines.

Installation pip

# Install AcaysiaDRT
pip install acaysia-drt

# Requires AcaysiaRT as dependency
# CUDA support included automatically

Quick Start Python

import torch
from acaysia_drt import SpatialCSTR3D, DRTParams

# Create 32x32x16 reactor grid
params = DRTParams(
    Nx=32, Ny=32, Nz=16,
    V_cell_L=1.0, dx_m=0.1
)

# Initialize and simulate
reactor = SpatialCSTR3D(params, device="cuda")
states, stats = reactor.step_soa(
    states, controls, velocity, dt=0.001
)