# Catalyst Performance Evaluator AI Agent Connect

> Calculates TOF, TON, selectivity, and deactivation rates for heterogeneous catalysis.

## Overview
- **Category:** science
- **Price:** Free
- **Endpoint:** https://edge.vinkius.com/vk_preview_up0UjjwB8jH4uBN32n217BJMH6dhBGE6JJVnlxB3/ai-agent-connect
- **Tags:** catalysis, kinetics, chemistry, reaction-engineering, industrial-science

## Description

This MCP server provides specialized kinetic calculation tools for evaluating heterogeneous catalyst performance. It allows AI agents to quantify catalytic efficiency by calculating Turnover Frequency (TOF) and Turnover Number (TON) using `get_activity_metrics`. It also determines product yield efficiency via `get_selectivity_profile`, quantifies performance decay with `get_deactivation_analysis`, and identifies physical transport constraints using `evaluate_mass_transfer_impact`.

## Tools

### evaluate_mass_transfer_impact
Determines if the observed reaction rate is being hindered by physical transport limitations

### get_activity_metrics
Calculates the fundamental efficiency metrics (TOF and TON) of the catalyst

### get_deactivation_analysis
Quantifies the loss of catalyst performance over the course of operation

### get_selectivity_profile
Determines how effectively the catalyst produces the target molecule

## Prompt Examples

**Prompt:** 
```
Calculate the activity metrics for a reaction with a rate of 0.5 mol/s, 100 active sites, and 10 seconds elapsed.
```

**Response:** 
```
The turnover frequency (TOF) is 0.005 mol/(site·s) and the turnover number (TON) is 0.05 mol/site.
```

**Prompt:** 
```
What is the selectivity if 80g of target product is formed out of 100g of total products?
```

**Response:** 
```
The selectivity is 0.8 (or 80%).
```

**Prompt:** 
```
The initial rate was 1.0 and the current rate is 0.8 after 5 minutes. What is the deactivation rate?
```

**Response:** 
```
The deactivation rate is 0.04 per minute.
```

## Frequently Asked Questions

**How do I calculate the turnover frequency?**
You can use the `get_activity_metrics` tool by providing the reaction rate, the number of active sites, and the time elapsed.

**Can this tool detect mass transfer limitations?**
Yes, the `evaluate_mass_transfer_impact` tool determines if the observed reaction rate is being hindered by physical transport limitations.

**How is catalyst deactivation measured?**
Deactivation is quantified using `get_deactivation_analysis`, which compares the initial rate to the current rate over a specific time interval.